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Substance Name: Androstane-3,17-diol glucuronide
RN: 27195-25-1
InChIKey: TWDCYBTXSUNASK-WGGIPMEBSA-N

Molecular Formula

  • C25-H40-O8

Molecular Weight

  • 468.583
 
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Names and Synonyms

Name of Substance

  • Androstane-3,17-diol glucuronide

Synonyms

  • 3,17-Androstanediol glucuronide
  • 3-alpha-Androstanediol glucuronide
  • 3-Hydroxyandrostan-17-yl-glucopyranosiduronic acid
  • 3alpha-Diol G
  • 5-alpha-Androstane-3alpha,17beta-diol glucuronide

Systematic Name

  • beta-D-Glucopyranuronic acid, monoglycoside with (3alpha,5alpha,17beta)-androstane-3,17-diol

Registry Numbers

CAS Registry Number

  • 27195-25-1

System Generated Number

  • 0027195251

Structure Descriptors

InChI

1S/C25H40O8/c1-24-9-7-13(32-23(31)21-19(28)18(27)20(29)22(30)33-21)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-22,26-30H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,22+,24-,25-/m0/s1

InChIKey

TWDCYBTXSUNASK-WGGIPMEBSA-N

Smiles

C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)OC(=O)[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)O)O)O)O