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Substance Name: Androsterone glucuronide
RN: 1852-43-3
UNII: IMD4XD0W3U
InChIKey: VFUIRAVTUVCQTF-BSOWLZGZSA-N

Molecular Formula

  • C25-H38-O8

Molecular Weight

  • 466.567
 
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Names and Synonyms

Name of Substance

  • Androsterone glucuronide

Synonyms

  • Androsterone glucosiduronate
  • Etiocholanolone glucuronide
  • NSC 113101
  • UNII-IMD4XD0W3U

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3alpha,5alpha)-17-oxoandrostan-3-yl

Registry Numbers

CAS Registry Number

  • 1852-43-3

FDA UNII

  • IMD4XD0W3U

System Generated Number

  • 0001852433

Structure Descriptors

InChI

InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1

InChIKey

VFUIRAVTUVCQTF-BSOWLZGZSA-N

Smiles

C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O