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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (1) Show 1 protein XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 08:39:33 UTC

Update Date

2021-10-01 21:20:38 UTC

HMDB ID

HMDB0251322

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Dihydroouabain

Description

Dihydroouabain belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety. Based on a literature review a significant number of articles have been published on Dihydroouabain. This compound has been identified in human blood as reported by (PMID: 31557052 ). Dihydroouabain is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Dihydroouabain is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309112110392D          

 41 46  0  0  0  0            999 V2000
    5.8429    4.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1232    3.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9354    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2157    2.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6838    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8717    1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5914    2.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    2.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.1163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7475    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    0.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111    2.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429    3.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    2.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637    2.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883    2.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    3.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611    3.7068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173    3.9838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6344    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    0.5269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    2.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1551    3.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6647    3.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    0.9421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0278    2.2035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4672    3.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 29 34  1  0  0  0  0
 20 35  1  0  0  0  0
 12 36  1  0  0  0  0
 36 37  1  0  0  0  0
 11 38  1  0  0  0  0
  5 39  1  0  0  0  0
  4 40  1  0  0  0  0
  3 41  1  0  0  0  0
M  END

HMDB0251322
     RDKit          3D
Dihydroouabain
 87 92  0  0  0  0  0  0  0  0999 V2000
    6.1387    2.3712   -1.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7165    1.7429    0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8062    1.1097    1.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2033   -0.0032    0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0480    0.2990   -0.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9564   -0.3431    0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0213    0.6946    0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8363    0.0048    1.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0080    1.0168    1.9998 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0951   -0.9075    0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0873   -2.2896    1.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3503   -2.7880    1.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3213   -0.4970    0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3409   -1.5933    0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5102   -2.4020   -0.4636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6812   -0.8639    0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0992   -0.1031   -0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5781   -0.9808   -1.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1337    0.9261    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2512    0.4290    0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0610   -0.6633    0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3904   -0.4444    0.7388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5826    0.9185    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6171    1.5908    0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2696    1.5442    0.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3365    1.9675    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0319    2.0058   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.7723   -0.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3680    1.0621   -2.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6998    0.0621   -0.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5790    0.9115   -1.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589    0.0059   -1.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040   -1.0888   -0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2843   -2.2831   -1.3217 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -1.2754   -0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1034   -0.7906   -0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8603   -2.1748   -0.2851 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5581   -0.5738   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2683   -1.1269   -1.2732 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9365    0.8777   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876    1.3647   -1.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1706    1.7489   -1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1281    2.7445   -0.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1309    2.5946    0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9771   -0.6843    1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3332   -0.9177    1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8289    1.5353    0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847    1.1346    1.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2006   -0.5228    2.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5708   -0.1572    1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1704   -0.3063   -2.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7120   -1.3049   -2.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1436   -1.8548   -1.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8971    0.1250    1.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7671   -1.6455    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1535   -0.5813   -0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2367   -2.2881    0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8338   -1.1586    0.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8451   -0.8709   -2.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6687    0.9484    0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2593    0.7413   -1.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
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 19 20  1  0
 20 21  1  0
 21 22  1  0
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 27 28  1  0
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 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
  4 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
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 40  2  1  0
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  6 47  1  0
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 31 76  1  0
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 35 80  1  0
 35 81  1  0
 36 82  1  0
 37 83  1  0
 38 84  1  0
 39 85  1  0
 40 86  1  0
 41 87  1  0
M  END


  Mrv1652309112110392D          

 41 46  0  0  0  0            999 V2000
    5.8429    4.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1232    3.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9354    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2157    2.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6838    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8717    1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5914    2.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    2.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.1163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7475    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    0.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111    2.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429    3.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    2.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637    2.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883    2.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    3.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611    3.7068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173    3.9838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6344    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    0.5269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    2.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1551    3.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6647    3.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    0.9421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0278    2.2035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4672    3.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 29 34  1  0  0  0  0
 20 35  1  0  0  0  0
 12 36  1  0  0  0  0
 36 37  1  0  0  0  0
 11 38  1  0  0  0  0
  5 39  1  0  0  0  0
  4 40  1  0  0  0  0
  3 41  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0251322

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2COC(=O)C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3

> <INCHI_KEY>
ZTFGOPUOTATSAL-UHFFFAOYSA-N

> <FORMULA>
C29H46O12

> <MOLECULAR_WEIGHT>
586.675

> <EXACT_MASS>
586.298926921

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
61.886090939405065

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxolan-2-one

> <ALOGPS_LOGP>
-1.66

> <JCHEM_LOGP>
-3.0472586180000003

> <ALOGPS_LOGS>
-2.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.14422712896711

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.209638326414378

> <JCHEM_PKA_STRONGEST_BASIC>
-2.829529493873454

> <JCHEM_POLAR_SURFACE_AREA>
206.6

> <JCHEM_REFRACTIVITY>
140.0841

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.64e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxolan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0251322
     RDKit          3D
Dihydroouabain
 87 92  0  0  0  0  0  0  0  0999 V2000
    6.1387    2.3712   -1.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7165    1.7429    0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8062    1.1097    1.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2033   -0.0032    0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0480    0.2990   -0.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9564   -0.3431    0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0213    0.6946    0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8363    0.0048    1.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0080    1.0168    1.9998 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0951   -0.9075    0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0873   -2.2896    1.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3503   -2.7880    1.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3213   -0.4970    0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3409   -1.5933    0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5102   -2.4020   -0.4636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6812   -0.8639    0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0992   -0.1031   -0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5781   -0.9808   -1.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1337    0.9261    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2512    0.4290    0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0610   -0.6633    0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3904   -0.4444    0.7388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5826    0.9185    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6171    1.5908    0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2696    1.5442    0.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3365    1.9675    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0319    2.0058   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.7723   -0.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3680    1.0621   -2.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6998    0.0621   -0.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5790    0.9115   -1.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589    0.0059   -1.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040   -1.0888   -0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2843   -2.2831   -1.3217 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -1.2754   -0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1034   -0.7906   -0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8603   -2.1748   -0.2851 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5581   -0.5738   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2683   -1.1269   -1.2732 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9365    0.8777   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876    1.3647   -1.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1706    1.7489   -1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7314    3.2984   -1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1281    2.7445   -0.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1309    2.5946    0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9771   -0.6843    1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3332   -0.9177    1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8289    1.5353    0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847    1.1346    1.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2006   -0.5228    2.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2201    1.8976    1.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3019   -2.0601    2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5049   -3.0199    0.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3806   -3.3225    2.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5854    0.3174    1.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1944   -2.1598    1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9764   -3.2269   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4330   -1.6027    1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.1572    1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1704   -0.3063   -2.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7120   -1.3049   -2.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1436   -1.8548   -1.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5631    1.3646   -0.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8971    0.1250    1.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7671   -1.6455    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1535   -0.5813   -0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3056    1.9558    2.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1133    2.3475    0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1729    1.7868    1.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8668    2.9580    0.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1128    2.8971   -0.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    2.1785    0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8968    0.4622   -2.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932   -0.8076   -1.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9251    1.3832   -2.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3481    1.7214   -0.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824    0.6316   -1.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481   -0.4310   -2.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4709   -2.3388   -2.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5844   -2.3493   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313   -1.0460   -1.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8843   -0.6006   -1.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367   -2.2881    0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8338   -1.1586    0.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8451   -0.8709   -2.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6687    0.9484    0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2593    0.7413   -1.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 19 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
  4 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40  2  1  0
 35  6  1  0
 33 10  1  0
 30 13  1  0
 28 17  1  0
 25 20  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
  7 49  1  0
  8 50  1  0
  9 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 13 55  1  0
 14 56  1  0
 15 57  1  0
 16 58  1  0
 16 59  1  0
 18 60  1  0
 18 61  1  0
 18 62  1  0
 19 63  1  0
 20 64  1  0
 21 65  1  0
 21 66  1  0
 25 67  1  0
 25 68  1  0
 26 69  1  0
 26 70  1  0
 27 71  1  0
 27 72  1  0
 29 73  1  0
 30 74  1  0
 31 75  1  0
 31 76  1  0
 32 77  1  0
 32 78  1  0
 34 79  1  0
 35 80  1  0
 35 81  1  0
 36 82  1  0
 37 83  1  0
 38 84  1  0
 39 85  1  0
 40 86  1  0
 41 87  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      10.907   7.552   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.430   6.104   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.946   5.833   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.469   4.384   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.477   3.207   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.961   3.478   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      10.437   4.926   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       9.968   2.301   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       8.452   2.572   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.929   4.020   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.413   4.291   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.420   3.114   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.904   3.385   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.911   2.208   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.434   0.759   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.950   0.488   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.943   1.666   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.459   1.394   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.466   0.217   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.395   2.479   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.179   1.534   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.095   2.398   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.667   3.877   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.872   3.927   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.865   5.104   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.381   4.833   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.374   6.011   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       0.200   5.313   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.612   5.093   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.151   5.043   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.675   6.491   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -5.154   6.919   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -2.459   7.436   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -1.184   6.572   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       1.764   0.984   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       4.897   4.562   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       5.889   5.740   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       6.841   5.771   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      13.000   1.759   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      14.985   4.113   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      13.939   7.010   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4   41                                                  
CONECT    4    3    5   40                                                  
CONECT    5    4    6   39                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6    2                                                       
CONECT    8    6    9                                                       
CONECT    9    8   10   18                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   38                                                  
CONECT   12   11   13   17   36                                             
CONECT   13   12   14   26                                                  
CONECT   14   13   15   20                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12   18   19                                             
CONECT   18   17    9                                                       
CONECT   19   17                                                            
CONECT   20   14   21   24   35                                             
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   29                                                  
CONECT   24   23   20   25   28                                             
CONECT   25   24   26                                                       
CONECT   26   25   13   27                                                  
CONECT   27   26                                                            
CONECT   28   24                                                            
CONECT   29   23   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   29                                                       
CONECT   35   20                                                            
CONECT   36   12   37                                                       
CONECT   37   36                                                            
CONECT   38   11                                                            
CONECT   39    5                                                            
CONECT   40    4                                                            
CONECT   41    3                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   92    0
END

COMPND    HMDB0251322
HETATM    1  C1  UNL     1       6.139   2.371  -1.024  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.717   1.743   0.211  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.806   1.110   1.011  1.00  0.00           O  
HETATM    4  C3  UNL     1       5.203  -0.003   0.468  1.00  0.00           C  
HETATM    5  O2  UNL     1       4.048   0.299  -0.241  1.00  0.00           O  
HETATM    6  C4  UNL     1       2.956  -0.343   0.333  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.021   0.695   0.908  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.836   0.005   1.489  1.00  0.00           C  
HETATM    9  O3  UNL     1      -0.008   1.017   2.000  1.00  0.00           O  
HETATM   10  C7  UNL     1       0.095  -0.907   0.552  1.00  0.00           C  
HETATM   11  C8  UNL     1       0.087  -2.290   1.229  1.00  0.00           C  
HETATM   12  O4  UNL     1       1.350  -2.788   1.450  1.00  0.00           O  
HETATM   13  C9  UNL     1      -1.321  -0.497   0.413  1.00  0.00           C  
HETATM   14  C10 UNL     1      -2.341  -1.593   0.668  1.00  0.00           C  
HETATM   15  O5  UNL     1      -2.510  -2.402  -0.464  1.00  0.00           O  
HETATM   16  C11 UNL     1      -3.681  -0.864   0.855  1.00  0.00           C  
HETATM   17  C12 UNL     1      -4.099  -0.103  -0.357  1.00  0.00           C  
HETATM   18  C13 UNL     1      -4.578  -0.981  -1.490  1.00  0.00           C  
HETATM   19  C14 UNL     1      -5.134   0.926   0.006  1.00  0.00           C  
HETATM   20  C15 UNL     1      -6.251   0.429   0.856  1.00  0.00           C  
HETATM   21  C16 UNL     1      -7.061  -0.663   0.241  1.00  0.00           C  
HETATM   22  O6  UNL     1      -8.390  -0.444   0.739  1.00  0.00           O  
HETATM   23  C17 UNL     1      -8.583   0.919   0.684  1.00  0.00           C  
HETATM   24  O7  UNL     1      -9.617   1.591   0.440  1.00  0.00           O  
HETATM   25  C18 UNL     1      -7.270   1.544   0.983  1.00  0.00           C  
HETATM   26  C19 UNL     1      -4.337   1.967   0.723  1.00  0.00           C  
HETATM   27  C20 UNL     1      -3.032   2.006  -0.079  1.00  0.00           C  
HETATM   28  C21 UNL     1      -3.000   0.772  -0.914  1.00  0.00           C  
HETATM   29  O8  UNL     1      -3.368   1.062  -2.246  1.00  0.00           O  
HETATM   30  C22 UNL     1      -1.700   0.062  -0.946  1.00  0.00           C  
HETATM   31  C23 UNL     1      -0.579   0.912  -1.430  1.00  0.00           C  
HETATM   32  C24 UNL     1       0.559   0.006  -1.760  1.00  0.00           C  
HETATM   33  C25 UNL     1       0.804  -1.089  -0.766  1.00  0.00           C  
HETATM   34  O9  UNL     1       0.284  -2.283  -1.322  1.00  0.00           O  
HETATM   35  C26 UNL     1       2.275  -1.275  -0.638  1.00  0.00           C  
HETATM   36  C27 UNL     1       6.103  -0.791  -0.455  1.00  0.00           C  
HETATM   37  O10 UNL     1       5.860  -2.175  -0.285  1.00  0.00           O  
HETATM   38  C28 UNL     1       7.558  -0.574  -0.202  1.00  0.00           C  
HETATM   39  O11 UNL     1       8.268  -1.127  -1.273  1.00  0.00           O  
HETATM   40  C29 UNL     1       7.936   0.878  -0.098  1.00  0.00           C  
HETATM   41  O12 UNL     1       8.588   1.365  -1.212  1.00  0.00           O  
HETATM   42  H1  UNL     1       6.171   1.749  -1.916  1.00  0.00           H  
HETATM   43  H2  UNL     1       6.731   3.298  -1.272  1.00  0.00           H  
HETATM   44  H3  UNL     1       5.128   2.744  -0.762  1.00  0.00           H  
HETATM   45  H4  UNL     1       7.131   2.595   0.830  1.00  0.00           H  
HETATM   46  H5  UNL     1       4.977  -0.684   1.323  1.00  0.00           H  
HETATM   47  H6  UNL     1       3.333  -0.918   1.202  1.00  0.00           H  
HETATM   48  H7  UNL     1       1.829   1.535   0.250  1.00  0.00           H  
HETATM   49  H8  UNL     1       2.585   1.135   1.786  1.00  0.00           H  
HETATM   50  H9  UNL     1       1.201  -0.523   2.421  1.00  0.00           H  
HETATM   51  H10 UNL     1       0.220   1.898   1.632  1.00  0.00           H  
HETATM   52  H11 UNL     1      -0.302  -2.060   2.268  1.00  0.00           H  
HETATM   53  H12 UNL     1      -0.505  -3.020   0.691  1.00  0.00           H  
HETATM   54  H13 UNL     1       1.381  -3.322   2.283  1.00  0.00           H  
HETATM   55  H14 UNL     1      -1.585   0.317   1.151  1.00  0.00           H  
HETATM   56  H15 UNL     1      -2.194  -2.160   1.580  1.00  0.00           H  
HETATM   57  H16 UNL     1      -2.976  -3.227  -0.139  1.00  0.00           H  
HETATM   58  H17 UNL     1      -4.433  -1.603   1.128  1.00  0.00           H  
HETATM   59  H18 UNL     1      -3.571  -0.157   1.696  1.00  0.00           H  
HETATM   60  H19 UNL     1      -5.170  -0.306  -2.175  1.00  0.00           H  
HETATM   61  H20 UNL     1      -3.712  -1.305  -2.139  1.00  0.00           H  
HETATM   62  H21 UNL     1      -5.144  -1.855  -1.156  1.00  0.00           H  
HETATM   63  H22 UNL     1      -5.563   1.365  -0.923  1.00  0.00           H  
HETATM   64  H23 UNL     1      -5.897   0.125   1.863  1.00  0.00           H  
HETATM   65  H24 UNL     1      -6.767  -1.646   0.608  1.00  0.00           H  
HETATM   66  H25 UNL     1      -7.154  -0.581  -0.858  1.00  0.00           H  
HETATM   67  H26 UNL     1      -7.306   1.956   2.012  1.00  0.00           H  
HETATM   68  H27 UNL     1      -7.113   2.348   0.231  1.00  0.00           H  
HETATM   69  H28 UNL     1      -4.173   1.787   1.787  1.00  0.00           H  
HETATM   70  H29 UNL     1      -4.867   2.958   0.655  1.00  0.00           H  
HETATM   71  H30 UNL     1      -3.113   2.897  -0.760  1.00  0.00           H  
HETATM   72  H31 UNL     1      -2.159   2.179   0.548  1.00  0.00           H  
HETATM   73  H32 UNL     1      -2.897   0.462  -2.878  1.00  0.00           H  
HETATM   74  H33 UNL     1      -1.793  -0.808  -1.627  1.00  0.00           H  
HETATM   75  H34 UNL     1      -0.925   1.383  -2.397  1.00  0.00           H  
HETATM   76  H35 UNL     1      -0.348   1.721  -0.715  1.00  0.00           H  
HETATM   77  H36 UNL     1       1.482   0.632  -1.942  1.00  0.00           H  
HETATM   78  H37 UNL     1       0.348  -0.431  -2.782  1.00  0.00           H  
HETATM   79  H38 UNL     1       0.471  -2.339  -2.291  1.00  0.00           H  
HETATM   80  H39 UNL     1       2.584  -2.349  -0.474  1.00  0.00           H  
HETATM   81  H40 UNL     1       2.731  -1.046  -1.649  1.00  0.00           H  
HETATM   82  H41 UNL     1       5.884  -0.601  -1.532  1.00  0.00           H  
HETATM   83  H42 UNL     1       5.237  -2.288   0.472  1.00  0.00           H  
HETATM   84  H43 UNL     1       7.834  -1.159   0.716  1.00  0.00           H  
HETATM   85  H44 UNL     1       7.845  -0.871  -2.147  1.00  0.00           H  
HETATM   86  H45 UNL     1       8.669   0.948   0.758  1.00  0.00           H  
HETATM   87  H46 UNL     1       9.259   0.741  -1.544  1.00  0.00           H  
CONECT    1    2   42   43   44
CONECT    2    3   40   45
CONECT    3    4
CONECT    4    5   36   46
CONECT    5    6
CONECT    6    7   35   47
CONECT    7    8   48   49
CONECT    8    9   10   50
CONECT    9   51
CONECT   10   11   13   33
CONECT   11   12   52   53
CONECT   12   54
CONECT   13   14   30   55
CONECT   14   15   16   56
CONECT   15   57
CONECT   16   17   58   59
CONECT   17   18   19   28
CONECT   18   60   61   62
CONECT   19   20   26   63
CONECT   20   21   25   64
CONECT   21   22   65   66
CONECT   22   23
CONECT   23   24   24   25
CONECT   25   67   68
CONECT   26   27   69   70
CONECT   27   28   71   72
CONECT   28   29   30
CONECT   29   73
CONECT   30   31   74
CONECT   31   32   75   76
CONECT   32   33   77   78
CONECT   33   34   35
CONECT   34   79
CONECT   35   80   81
CONECT   36   37   38   82
CONECT   37   83
CONECT   38   39   40   84
CONECT   39   85
CONECT   40   41   86
CONECT   41   87
END

HMDB0251322
     RDKit          3D
Dihydroouabain
 87 92  0  0  0  0  0  0  0  0999 V2000
    6.1387    2.3712   -1.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7165    1.7429    0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8062    1.1097    1.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2033   -0.0032    0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0480    0.2990   -0.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9564   -0.3431    0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0213    0.6946    0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8363    0.0048    1.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0080    1.0168    1.9998 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0951   -0.9075    0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0873   -2.2896    1.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3503   -2.7880    1.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3213   -0.4970    0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3409   -1.5933    0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5102   -2.4020   -0.4636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6812   -0.8639    0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0992   -0.1031   -0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5781   -0.9808   -1.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1337    0.9261    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2512    0.4290    0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0610   -0.6633    0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3904   -0.4444    0.7388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5826    0.9185    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6171    1.5908    0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2696    1.5442    0.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3365    1.9675    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0319    2.0058   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.7723   -0.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3680    1.0621   -2.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6998    0.0621   -0.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5790    0.9115   -1.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589    0.0059   -1.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040   -1.0888   -0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2843   -2.2831   -1.3217 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -1.2754   -0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1034   -0.7906   -0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8603   -2.1748   -0.2851 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5581   -0.5738   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2683   -1.1269   -1.2732 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9365    0.8777   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876    1.3647   -1.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1706    1.7489   -1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7314    3.2984   -1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1281    2.7445   -0.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1309    2.5946    0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9771   -0.6843    1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3332   -0.9177    1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8289    1.5353    0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847    1.1346    1.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2006   -0.5228    2.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2201    1.8976    1.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3019   -2.0601    2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5049   -3.0199    0.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3806   -3.3225    2.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5854    0.3174    1.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1944   -2.1598    1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9764   -3.2269   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4330   -1.6027    1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.1572    1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1704   -0.3063   -2.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7120   -1.3049   -2.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1436   -1.8548   -1.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5631    1.3646   -0.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8971    0.1250    1.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7671   -1.6455    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1535   -0.5813   -0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3056    1.9558    2.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1133    2.3475    0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1729    1.7868    1.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8668    2.9580    0.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1128    2.8971   -0.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    2.1785    0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8968    0.4622   -2.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932   -0.8076   -1.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9251    1.3832   -2.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3481    1.7214   -0.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824    0.6316   -1.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481   -0.4310   -2.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4709   -2.3388   -2.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5844   -2.3493   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313   -1.0460   -1.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8843   -0.6006   -1.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367   -2.2881    0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8338   -1.1586    0.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8451   -0.8709   -2.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6687    0.9484    0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2593    0.7413   -1.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
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 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 19 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
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 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
  4 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40  2  1  0
 35  6  1  0
 33 10  1  0
 30 13  1  0
 28 17  1  0
 25 20  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
  7 49  1  0
  8 50  1  0
  9 51  1  0
 11 52  1  0
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 40 86  1  0
 41 87  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₉H₄₆O₁₂

Average Molecular Weight

586.675

Monoisotopic Molecular Weight

586.298926921

IUPAC Name

4-[3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxolan-2-one

Traditional Name

4-[3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxolan-2-one

CAS Registry Number

Not Available

SMILES

CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2COC(=O)C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3

InChI Key

ZTFGOPUOTATSAL-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroid lactones

Direct Parent

Cardenolide glycosides and derivatives

Alternative Parents

Substituents

Cardanolide-glycoside
Steroidal glycoside
19-hydroxysteroid
1-hydroxysteroid
14-hydroxysteroid
5-hydroxysteroid
11-hydroxysteroid
Hydroxysteroid
Glycosyl compound
O-glycosyl compound
Gamma butyrolactone
Monosaccharide
Oxane
Tertiary alcohol
Cyclic alcohol
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Lactone
Polyol
Carboxylic acid derivative
Acetal
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Alcohol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Primary alcohol
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-1.7	ALOGPS
logP	-3	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	206.6 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	140.08 m³·mol⁻¹	ChemAxon
Polarizability	61.89 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	230.223	30932474
DeepCCS	[M-H]-	227.827	30932474
DeepCCS	[M-2H]-	260.712	30932474
DeepCCS	[M+Na]+	236.135	30932474
AllCCS	[M+H]+	234.8	32859911
AllCCS	[M+H-H2O]+	233.9	32859911
AllCCS	[M+NH4]+	235.7	32859911
AllCCS	[M+Na]+	235.9	32859911
AllCCS	[M-H]-	228.8	32859911
AllCCS	[M+Na-2H]-	231.2	32859911
AllCCS	[M+HCOO]-	234.0	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Predicted by Siyang on May 30, 2022	11.3964 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	5.76 minutes	32390414

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Dihydroouabain,1TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5100.9	Semi standard non polar	33892256
Dihydroouabain,1TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	4555.7	Standard non polar	33892256
Dihydroouabain,1TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6298.5	Standard polar	33892256
Dihydroouabain,1TMS,isomer #2	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5065.0	Semi standard non polar	33892256
Dihydroouabain,1TMS,isomer #2	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	4612.2	Standard non polar	33892256
Dihydroouabain,1TMS,isomer #2	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6282.1	Standard polar	33892256
Dihydroouabain,1TMS,isomer #3	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5086.9	Semi standard non polar	33892256
Dihydroouabain,1TMS,isomer #3	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	4538.4	Standard non polar	33892256
Dihydroouabain,1TMS,isomer #3	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6336.4	Standard polar	33892256
Dihydroouabain,1TMS,isomer #4	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5119.9	Semi standard non polar	33892256
Dihydroouabain,1TMS,isomer #4	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4559.5	Standard non polar	33892256
Dihydroouabain,1TMS,isomer #4	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	6260.6	Standard polar	33892256
Dihydroouabain,1TMS,isomer #5	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5094.9	Semi standard non polar	33892256
Dihydroouabain,1TMS,isomer #5	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4582.4	Standard non polar	33892256
Dihydroouabain,1TMS,isomer #5	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	6303.3	Standard polar	33892256
Dihydroouabain,1TMS,isomer #6	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5117.5	Semi standard non polar	33892256
Dihydroouabain,1TMS,isomer #6	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4572.4	Standard non polar	33892256
Dihydroouabain,1TMS,isomer #6	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	6282.7	Standard polar	33892256
Dihydroouabain,1TMS,isomer #7	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5114.8	Semi standard non polar	33892256
Dihydroouabain,1TMS,isomer #7	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4571.5	Standard non polar	33892256
Dihydroouabain,1TMS,isomer #7	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	6259.6	Standard polar	33892256
Dihydroouabain,1TMS,isomer #8	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5114.6	Semi standard non polar	33892256
Dihydroouabain,1TMS,isomer #8	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4561.7	Standard non polar	33892256
Dihydroouabain,1TMS,isomer #8	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	6275.6	Standard polar	33892256
Dihydroouabain,2TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5058.3	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	4584.7	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6117.4	Standard polar	33892256
Dihydroouabain,2TMS,isomer #10	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5058.6	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #10	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4608.9	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #10	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	6145.2	Standard polar	33892256
Dihydroouabain,2TMS,isomer #11	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5048.2	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #11	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4618.9	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #11	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	6131.2	Standard polar	33892256
Dihydroouabain,2TMS,isomer #12	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5049.1	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #12	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4620.8	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #12	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	6112.2	Standard polar	33892256
Dihydroouabain,2TMS,isomer #13	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5071.1	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #13	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4610.0	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #13	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	6117.9	Standard polar	33892256
Dihydroouabain,2TMS,isomer #14	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5057.7	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #14	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4517.2	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #14	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	6147.8	Standard polar	33892256
Dihydroouabain,2TMS,isomer #15	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5035.9	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #15	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4544.9	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #15	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	6188.8	Standard polar	33892256
Dihydroouabain,2TMS,isomer #16	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5038.5	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #16	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4566.3	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #16	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	6179.3	Standard polar	33892256
Dihydroouabain,2TMS,isomer #17	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5037.0	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #17	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4570.8	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #17	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	6159.9	Standard polar	33892256
Dihydroouabain,2TMS,isomer #18	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5062.8	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #18	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4559.3	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #18	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	6165.9	Standard polar	33892256
Dihydroouabain,2TMS,isomer #19	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5073.7	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #19	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4552.4	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #19	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	6113.2	Standard polar	33892256
Dihydroouabain,2TMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5037.0	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	4519.3	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6184.9	Standard polar	33892256
Dihydroouabain,2TMS,isomer #20	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5090.4	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #20	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4574.9	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #20	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	6099.8	Standard polar	33892256
Dihydroouabain,2TMS,isomer #21	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5076.5	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #21	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4582.7	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #21	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	6080.7	Standard polar	33892256
Dihydroouabain,2TMS,isomer #22	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5107.8	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #22	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4568.3	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #22	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	6085.8	Standard polar	33892256
Dihydroouabain,2TMS,isomer #23	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	5079.5	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #23	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4601.1	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #23	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	6144.8	Standard polar	33892256
Dihydroouabain,2TMS,isomer #24	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	5080.7	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #24	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4607.1	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #24	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	6125.5	Standard polar	33892256
Dihydroouabain,2TMS,isomer #25	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	5103.2	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #25	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4594.6	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #25	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	6130.7	Standard polar	33892256
Dihydroouabain,2TMS,isomer #26	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5109.4	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #26	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4600.5	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #26	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	6090.6	Standard polar	33892256
Dihydroouabain,2TMS,isomer #27	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5111.1	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #27	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4622.2	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #27	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	6109.1	Standard polar	33892256
Dihydroouabain,2TMS,isomer #28	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5117.9	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #28	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4598.7	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #28	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	6066.6	Standard polar	33892256
Dihydroouabain,2TMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5076.6	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4526.9	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	6107.3	Standard polar	33892256
Dihydroouabain,2TMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5074.1	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4556.5	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	6147.7	Standard polar	33892256
Dihydroouabain,2TMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5079.6	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4574.7	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	6141.4	Standard polar	33892256
Dihydroouabain,2TMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5081.7	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4578.7	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	6122.1	Standard polar	33892256
Dihydroouabain,2TMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5104.4	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4567.3	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	6128.0	Standard polar	33892256
Dihydroouabain,2TMS,isomer #8	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5007.4	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #8	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	4574.9	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #8	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6176.4	Standard polar	33892256
Dihydroouabain,2TMS,isomer #9	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5056.1	Semi standard non polar	33892256
Dihydroouabain,2TMS,isomer #9	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4583.4	Standard non polar	33892256
Dihydroouabain,2TMS,isomer #9	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	6098.1	Standard polar	33892256
Dihydroouabain,3TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	4879.7	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	4527.4	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5975.0	Standard polar	33892256
Dihydroouabain,3TMS,isomer #10	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4877.8	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #10	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4548.3	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #10	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5987.2	Standard polar	33892256
Dihydroouabain,3TMS,isomer #11	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4925.8	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #11	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4537.9	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #11	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5983.8	Standard polar	33892256
Dihydroouabain,3TMS,isomer #12	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4925.9	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #12	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4494.7	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #12	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5929.6	Standard polar	33892256
Dihydroouabain,3TMS,isomer #13	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4922.3	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #13	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4540.3	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #13	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5927.7	Standard polar	33892256
Dihydroouabain,3TMS,isomer #14	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4921.6	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #14	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4551.5	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #14	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5913.6	Standard polar	33892256
Dihydroouabain,3TMS,isomer #15	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4969.5	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #15	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4542.5	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #15	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5906.9	Standard polar	33892256
Dihydroouabain,3TMS,isomer #16	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4924.6	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #16	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4571.7	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #16	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	5968.8	Standard polar	33892256
Dihydroouabain,3TMS,isomer #17	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4928.0	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #17	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4580.9	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #17	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	5955.4	Standard polar	33892256
Dihydroouabain,3TMS,isomer #18	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4969.2	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #18	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4570.5	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #18	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	5949.2	Standard polar	33892256
Dihydroouabain,3TMS,isomer #19	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4972.9	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #19	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4592.7	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #19	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5927.4	Standard polar	33892256
Dihydroouabain,3TMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4923.7	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4530.8	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5901.1	Standard polar	33892256
Dihydroouabain,3TMS,isomer #20	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4979.6	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #20	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4626.7	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #20	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5941.5	Standard polar	33892256
Dihydroouabain,3TMS,isomer #21	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4985.1	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #21	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4596.2	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #21	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5898.3	Standard polar	33892256
Dihydroouabain,3TMS,isomer #22	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4888.9	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #22	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4526.8	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #22	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5964.5	Standard polar	33892256
Dihydroouabain,3TMS,isomer #23	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4880.7	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #23	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4556.2	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #23	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	6007.7	Standard polar	33892256
Dihydroouabain,3TMS,isomer #24	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4854.8	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #24	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4592.5	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #24	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5998.3	Standard polar	33892256
Dihydroouabain,3TMS,isomer #25	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4851.2	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #25	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4601.6	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #25	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5984.7	Standard polar	33892256
Dihydroouabain,3TMS,isomer #26	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4902.0	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #26	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4589.4	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #26	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5981.4	Standard polar	33892256
Dihydroouabain,3TMS,isomer #27	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4920.2	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #27	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4561.5	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #27	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5936.0	Standard polar	33892256
Dihydroouabain,3TMS,isomer #28	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4898.4	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #28	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4602.1	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #28	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5924.3	Standard polar	33892256
Dihydroouabain,3TMS,isomer #29	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4896.8	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #29	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4612.7	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #29	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5911.1	Standard polar	33892256
Dihydroouabain,3TMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4942.1	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4557.5	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5950.7	Standard polar	33892256
Dihydroouabain,3TMS,isomer #30	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4946.1	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #30	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4600.2	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #30	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5905.3	Standard polar	33892256
Dihydroouabain,3TMS,isomer #31	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4920.7	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #31	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4623.5	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #31	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	5972.0	Standard polar	33892256
Dihydroouabain,3TMS,isomer #32	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4922.7	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #32	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4634.1	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #32	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	5958.7	Standard polar	33892256
Dihydroouabain,3TMS,isomer #33	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4965.8	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #33	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4620.1	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #33	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	5953.3	Standard polar	33892256
Dihydroouabain,3TMS,isomer #34	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4943.0	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #34	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4634.8	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #34	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5923.7	Standard polar	33892256
Dihydroouabain,3TMS,isomer #35	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4949.8	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #35	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4664.8	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #35	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5937.4	Standard polar	33892256
Dihydroouabain,3TMS,isomer #36	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4961.3	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #36	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4633.5	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #36	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5895.5	Standard polar	33892256
Dihydroouabain,3TMS,isomer #37	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4905.4	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #37	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4491.1	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #37	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5974.8	Standard polar	33892256
Dihydroouabain,3TMS,isomer #38	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4898.9	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #38	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4536.9	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #38	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5967.6	Standard polar	33892256
Dihydroouabain,3TMS,isomer #39	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4896.5	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #39	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4549.6	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #39	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5953.2	Standard polar	33892256
Dihydroouabain,3TMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4923.9	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4595.9	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5940.1	Standard polar	33892256
Dihydroouabain,3TMS,isomer #40	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4946.8	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #40	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4539.4	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #40	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5947.3	Standard polar	33892256
Dihydroouabain,3TMS,isomer #41	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4868.7	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #41	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4567.6	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #41	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	6009.3	Standard polar	33892256
Dihydroouabain,3TMS,isomer #42	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4867.6	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #42	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4579.3	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #42	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	5996.1	Standard polar	33892256
Dihydroouabain,3TMS,isomer #43	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4919.8	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #43	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4568.3	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #43	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	5991.3	Standard polar	33892256
Dihydroouabain,3TMS,isomer #44	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4925.0	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #44	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4590.1	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #44	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5963.6	Standard polar	33892256
Dihydroouabain,3TMS,isomer #45	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4931.6	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #45	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4622.2	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #45	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5977.7	Standard polar	33892256
Dihydroouabain,3TMS,isomer #46	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4936.6	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #46	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4593.1	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #46	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5935.7	Standard polar	33892256
Dihydroouabain,3TMS,isomer #47	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4913.5	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #47	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4572.8	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #47	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	5937.3	Standard polar	33892256
Dihydroouabain,3TMS,isomer #48	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4910.9	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #48	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4585.2	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #48	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	5924.1	Standard polar	33892256
Dihydroouabain,3TMS,isomer #49	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4960.1	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #49	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4575.2	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #49	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	5916.4	Standard polar	33892256
Dihydroouabain,3TMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4924.8	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4605.2	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5926.5	Standard polar	33892256
Dihydroouabain,3TMS,isomer #50	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4970.3	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #50	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4600.9	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #50	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5888.9	Standard polar	33892256
Dihydroouabain,3TMS,isomer #51	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4972.9	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #51	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4633.8	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #51	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5901.4	Standard polar	33892256
Dihydroouabain,3TMS,isomer #52	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4980.3	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #52	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4604.6	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #52	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5858.7	Standard polar	33892256
Dihydroouabain,3TMS,isomer #53	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4964.3	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #53	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4621.8	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #53	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5936.3	Standard polar	33892256
Dihydroouabain,3TMS,isomer #54	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4973.5	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #54	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4655.0	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #54	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5949.2	Standard polar	33892256
Dihydroouabain,3TMS,isomer #55	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4980.5	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #55	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4625.6	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #55	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5905.8	Standard polar	33892256
Dihydroouabain,3TMS,isomer #56	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5055.6	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #56	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4644.1	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #56	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5861.2	Standard polar	33892256
Dihydroouabain,3TMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4969.2	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4592.7	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5921.4	Standard polar	33892256
Dihydroouabain,3TMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4910.9	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4455.4	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5966.0	Standard polar	33892256
Dihydroouabain,3TMS,isomer #8	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4881.5	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #8	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4489.4	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #8	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	6005.2	Standard polar	33892256
Dihydroouabain,3TMS,isomer #9	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4881.0	Semi standard non polar	33892256
Dihydroouabain,3TMS,isomer #9	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4536.7	Standard non polar	33892256
Dihydroouabain,3TMS,isomer #9	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	6001.0	Standard polar	33892256
Dihydroouabain,4TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4711.5	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4434.0	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5730.1	Standard polar	33892256
Dihydroouabain,4TMS,isomer #10	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4744.3	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #10	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4557.1	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #10	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	5748.1	Standard polar	33892256
Dihydroouabain,4TMS,isomer #11	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4741.9	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #11	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4563.9	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #11	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	5741.3	Standard polar	33892256
Dihydroouabain,4TMS,isomer #12	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4797.9	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #12	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4558.8	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #12	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	5723.4	Standard polar	33892256
Dihydroouabain,4TMS,isomer #13	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4773.1	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #13	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4595.8	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #13	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5718.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #14	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4785.9	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #14	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4632.6	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #14	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5727.4	Standard polar	33892256
Dihydroouabain,4TMS,isomer #15	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4794.8	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #15	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4602.2	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #15	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5685.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #16	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4712.1	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #16	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4384.2	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #16	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5747.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #17	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4690.2	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #17	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4448.2	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #17	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5759.3	Standard polar	33892256
Dihydroouabain,4TMS,isomer #18	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4685.8	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #18	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4459.3	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #18	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5753.0	Standard polar	33892256
Dihydroouabain,4TMS,isomer #19	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4757.2	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #19	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4452.5	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #19	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5735.2	Standard polar	33892256
Dihydroouabain,4TMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4708.6	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4468.4	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5773.8	Standard polar	33892256
Dihydroouabain,4TMS,isomer #20	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4669.7	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #20	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4489.6	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #20	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	5794.7	Standard polar	33892256
Dihydroouabain,4TMS,isomer #21	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4664.4	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #21	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4499.1	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #21	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	5787.7	Standard polar	33892256
Dihydroouabain,4TMS,isomer #22	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4732.6	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #22	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4493.2	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #22	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	5769.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #23	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4714.8	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #23	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4531.8	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #23	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5771.6	Standard polar	33892256
Dihydroouabain,4TMS,isomer #24	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4727.9	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #24	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4571.3	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #24	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5781.4	Standard polar	33892256
Dihydroouabain,4TMS,isomer #25	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4731.0	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #25	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4542.1	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #25	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5738.3	Standard polar	33892256
Dihydroouabain,4TMS,isomer #26	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4702.5	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #26	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4482.7	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #26	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	5719.2	Standard polar	33892256
Dihydroouabain,4TMS,isomer #27	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4697.2	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #27	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4492.9	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #27	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	5714.3	Standard polar	33892256
Dihydroouabain,4TMS,isomer #28	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4764.7	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #28	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4483.4	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #28	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	5695.5	Standard polar	33892256
Dihydroouabain,4TMS,isomer #29	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4754.9	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #29	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4529.6	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #29	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5697.3	Standard polar	33892256
Dihydroouabain,4TMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4665.0	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4528.2	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5778.7	Standard polar	33892256
Dihydroouabain,4TMS,isomer #30	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4768.3	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #30	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4565.7	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #30	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5705.6	Standard polar	33892256
Dihydroouabain,4TMS,isomer #31	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4770.2	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #31	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4540.1	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #31	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5665.2	Standard polar	33892256
Dihydroouabain,4TMS,isomer #32	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4767.2	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #32	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4560.7	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #32	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5734.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #33	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4782.8	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #33	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4600.6	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #33	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5743.0	Standard polar	33892256
Dihydroouabain,4TMS,isomer #34	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4784.2	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #34	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4574.6	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #34	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5701.8	Standard polar	33892256
Dihydroouabain,4TMS,isomer #35	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4864.7	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #35	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4611.5	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #35	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5674.8	Standard polar	33892256
Dihydroouabain,4TMS,isomer #36	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4710.0	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #36	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4468.6	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #36	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5761.4	Standard polar	33892256
Dihydroouabain,4TMS,isomer #37	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4668.5	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #37	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4526.0	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #37	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5767.6	Standard polar	33892256
Dihydroouabain,4TMS,isomer #38	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4661.3	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #38	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4533.2	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #38	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5761.0	Standard polar	33892256
Dihydroouabain,4TMS,isomer #39	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4736.3	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #39	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4528.5	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #39	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5743.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4656.6	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4535.2	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5771.0	Standard polar	33892256
Dihydroouabain,4TMS,isomer #40	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4662.9	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #40	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4556.9	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #40	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	5806.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #41	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4658.4	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #41	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4564.4	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #41	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	5799.7	Standard polar	33892256
Dihydroouabain,4TMS,isomer #42	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4729.9	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #42	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4559.0	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #42	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	5782.6	Standard polar	33892256
Dihydroouabain,4TMS,isomer #43	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4680.4	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #43	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4595.1	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #43	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5778.8	Standard polar	33892256
Dihydroouabain,4TMS,isomer #44	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4695.9	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #44	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4629.4	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #44	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5788.6	Standard polar	33892256
Dihydroouabain,4TMS,isomer #45	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4703.4	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #45	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4598.9	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #45	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5746.2	Standard polar	33892256
Dihydroouabain,4TMS,isomer #46	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4702.1	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #46	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4559.7	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #46	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	5732.1	Standard polar	33892256
Dihydroouabain,4TMS,isomer #47	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4699.2	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #47	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4566.9	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #47	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	5726.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #48	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4765.3	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #48	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4561.6	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #48	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	5708.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #49	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4733.0	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #49	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4598.0	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #49	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5703.6	Standard polar	33892256
Dihydroouabain,4TMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4732.6	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4530.8	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5754.1	Standard polar	33892256
Dihydroouabain,4TMS,isomer #50	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4745.9	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #50	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4634.1	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #50	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5711.8	Standard polar	33892256
Dihydroouabain,4TMS,isomer #51	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4755.5	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #51	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4604.9	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #51	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5672.1	Standard polar	33892256
Dihydroouabain,4TMS,isomer #52	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4764.7	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #52	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4621.5	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #52	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5746.7	Standard polar	33892256
Dihydroouabain,4TMS,isomer #53	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4779.5	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #53	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4658.6	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #53	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5754.8	Standard polar	33892256
Dihydroouabain,4TMS,isomer #54	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4788.4	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #54	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4631.2	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #54	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5714.0	Standard polar	33892256
Dihydroouabain,4TMS,isomer #55	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4843.1	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #55	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4662.2	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #55	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5681.0	Standard polar	33892256
Dihydroouabain,4TMS,isomer #56	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4676.8	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #56	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	4485.1	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #56	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O	5763.4	Standard polar	33892256
Dihydroouabain,4TMS,isomer #57	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4671.6	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #57	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	4497.5	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #57	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O	5757.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #58	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4741.5	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #58	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	4488.2	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #58	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C	5739.6	Standard polar	33892256
Dihydroouabain,4TMS,isomer #59	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4725.3	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #59	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4532.3	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #59	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5736.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4736.1	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	4467.8	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O)C1O	5698.8	Standard polar	33892256
Dihydroouabain,4TMS,isomer #60	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4741.4	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #60	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4569.1	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #60	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5745.3	Standard polar	33892256
Dihydroouabain,4TMS,isomer #61	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4743.4	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #61	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4542.2	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #61	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5704.6	Standard polar	33892256
Dihydroouabain,4TMS,isomer #62	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4698.9	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #62	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4563.6	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #62	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5774.8	Standard polar	33892256
Dihydroouabain,4TMS,isomer #63	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4715.5	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #63	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4603.3	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #63	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5783.4	Standard polar	33892256
Dihydroouabain,4TMS,isomer #64	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4717.5	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #64	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4576.6	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #64	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5741.5	Standard polar	33892256
Dihydroouabain,4TMS,isomer #65	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4797.8	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #65	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4611.1	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #65	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5710.8	Standard polar	33892256
Dihydroouabain,4TMS,isomer #66	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4736.3	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #66	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4564.5	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #66	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5701.9	Standard polar	33892256
Dihydroouabain,4TMS,isomer #67	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4749.7	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #67	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4599.0	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #67	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5709.5	Standard polar	33892256
Dihydroouabain,4TMS,isomer #68	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4754.6	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #68	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4576.5	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #68	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5670.6	Standard polar	33892256
Dihydroouabain,4TMS,isomer #69	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4845.1	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #69	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4618.1	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #69	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5636.8	Standard polar	33892256
Dihydroouabain,4TMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4709.2	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	4526.9	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C)C(O)C1O	5702.7	Standard polar	33892256
Dihydroouabain,4TMS,isomer #70	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4846.7	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #70	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4642.7	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #70	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5678.4	Standard polar	33892256
Dihydroouabain,4TMS,isomer #8	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4701.7	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #8	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	4533.8	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #8	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C)C1O	5696.8	Standard polar	33892256
Dihydroouabain,4TMS,isomer #9	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4770.2	Semi standard non polar	33892256
Dihydroouabain,4TMS,isomer #9	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	4529.3	Standard non polar	33892256
Dihydroouabain,4TMS,isomer #9	CC1OC(OC2CC(O[Si](C)(C)C)C3(CO[Si](C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C	5678.8	Standard polar	33892256
Dihydroouabain,1TBDMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5311.1	Semi standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	4838.0	Standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6374.1	Standard polar	33892256
Dihydroouabain,1TBDMS,isomer #2	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5252.2	Semi standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #2	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	4911.1	Standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #2	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6368.4	Standard polar	33892256
Dihydroouabain,1TBDMS,isomer #3	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5307.3	Semi standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #3	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	4842.7	Standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #3	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6407.4	Standard polar	33892256
Dihydroouabain,1TBDMS,isomer #4	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5324.7	Semi standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #4	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	4833.7	Standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #4	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	6325.7	Standard polar	33892256
Dihydroouabain,1TBDMS,isomer #5	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	5287.9	Semi standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #5	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	4844.6	Standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #5	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	6360.1	Standard polar	33892256
Dihydroouabain,1TBDMS,isomer #6	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5344.4	Semi standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #6	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4864.3	Standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #6	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6361.1	Standard polar	33892256
Dihydroouabain,1TBDMS,isomer #7	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5342.3	Semi standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #7	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4860.6	Standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #7	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6338.0	Standard polar	33892256
Dihydroouabain,1TBDMS,isomer #8	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5343.0	Semi standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #8	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4855.6	Standard non polar	33892256
Dihydroouabain,1TBDMS,isomer #8	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6352.7	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5437.0	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5104.0	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #1	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6250.7	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #10	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	5423.0	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #10	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	5105.8	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #10	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	6257.1	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #11	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5434.7	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #11	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5136.0	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #11	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6270.8	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #12	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5439.1	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #12	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5125.8	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #12	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6253.1	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #13	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5458.5	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #13	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5124.0	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #13	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6256.4	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #14	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5464.8	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #14	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5039.9	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #14	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	6252.7	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #15	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	5423.2	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #15	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	5047.2	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #15	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	6284.9	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #16	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5446.9	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #16	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5079.5	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #16	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6302.1	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #17	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5450.8	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #17	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5073.1	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #17	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6283.8	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #18	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5473.1	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #18	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5069.3	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #18	CC1OC(OC2CC(O)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6287.6	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #19	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	5452.3	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #19	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	5042.5	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #19	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	6201.5	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5441.3	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5042.1	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #2	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6302.2	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #20	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5487.1	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #20	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5073.3	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #20	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6216.0	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #21	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5484.6	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #21	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5070.5	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #21	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6198.7	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #22	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5508.0	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #22	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5065.1	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #22	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6201.0	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #23	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5461.5	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #23	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5083.1	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #23	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6252.3	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #24	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5467.2	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #24	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5079.9	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #24	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6234.8	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #25	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5486.6	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #25	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5074.4	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #25	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6237.2	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #26	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5527.1	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #26	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5095.7	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #26	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	6232.1	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #27	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5518.3	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #27	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5115.0	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #27	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	6244.0	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #28	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5533.4	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #28	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5092.3	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #28	CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	6209.3	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5469.8	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5036.6	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #3	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	6216.9	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	5455.9	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	5044.6	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #4	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)C(O)C(O)C1O	6248.2	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5476.5	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5077.6	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #5	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6269.2	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5484.9	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5072.1	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #6	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6251.1	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5502.9	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5067.5	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #7	CC1OC(OC2CC(O[Si](C)(C)C(C)(C)C)C3(CO)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6254.4	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #8	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5400.2	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #8	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	5109.0	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #8	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O[Si](C)(C)C(C)(C)C)CC5(C)C(C6COC(=O)C6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O	6305.6	Standard polar	33892256
Dihydroouabain,2TBDMS,isomer #9	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5433.5	Semi standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #9	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	5100.8	Standard non polar	33892256
Dihydroouabain,2TBDMS,isomer #9	CC1OC(OC2CC(O)C3(CO[Si](C)(C)C(C)(C)C)C4C(O)CC5(C)C(C6COC(=O)C6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)C(O)C(O)C1O	6219.9	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dihydroouabain 10V, Positive-QTOF	splash10-00ri-0000490000-cb8b3c3b7953055f9d6f	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dihydroouabain 20V, Positive-QTOF	splash10-060c-0003890000-6ed3125c9d994eba6e79	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dihydroouabain 40V, Positive-QTOF	splash10-00fu-9210530000-534a5db4c859216dc068	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dihydroouabain 10V, Negative-QTOF	splash10-000i-0000090000-0f0348f2dffd2e09b92b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dihydroouabain 20V, Negative-QTOF	splash10-0076-5001390000-71061b9229b0a165ec74	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dihydroouabain 40V, Negative-QTOF	splash10-004l-9301560000-898117b80f0e6add1efd	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

2960

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3068

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Enzymes

Enzyme Details

1. Digoxin reductase

General function:: Not Available
Specific function:: Involved in the inactivation of the cardiac medication and plant natural product digoxin, thus decreasing drug efficacy and toxicity. Catalyzes the reduction of the alpha,beta-unsaturated butyrolactone ring of digoxin to the inactive metabolite dihydrodigoxin. Likely uses the cytochrome Cgr1 as the physiological electron donor, encoded by the adjacent gene in the locus. Only reduces digoxin and other cardenolide toxins, such as digitoxin, digoxigenin, ouabain and ouabagenin. Therefore is a specialized enzyme present in some gut bacteria E.lenta that protects their human host against ingested plant toxins.
Gene Name:: CGR2
Uniprot ID:: C8WLM1
Molecular weight:: 59160.825

Showing metabocard for Dihydroouabain (HMDB0251322)

MOL for HMDB0251322 (Dihydroouabain)

3D MOL for HMDB0251322 (Dihydroouabain)

3D SDF for HMDB0251322 (Dihydroouabain)

3D-SDF for HMDB0251322 (Dihydroouabain)

PDB for HMDB0251322 (Dihydroouabain)

3D PDB for HMDB0251322 (Dihydroouabain)

SMILES for HMDB0251322 (Dihydroouabain)

INCHI for HMDB0251322 (Dihydroouabain)

Structure for HMDB0251322 (Dihydroouabain)

3D Structure for HMDB0251322 (Dihydroouabain)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra

NMR Spectra

Enzymes