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Substance Name: Etiocholanolone glucuronide
RN: 3602-09-3
UNII: 9LK4DML9R2
InChIKey: VFUIRAVTUVCQTF-SDHZCXLISA-N

Molecular Formula

  • C25-H38-O8

Molecular Weight

  • 466.5644
 
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Names and Synonyms

Name of Substance

  • Etiocholanolone glucuronide

Synonyms

  • (3alpha,5beta)-17-Oxoandrostan-3-yl beta-D-glucopyranosiduronic acid
  • 3alpha-Hydroxy-5beta-androstan-17-one glucuronide
  • 5beta-Androstan-3alpha-ol-17-one glucuronide
  • Androstan-3-ol-17-one 3-glucuronide
  • Etiocholan-3alpha-ol-17-one 3-glucuronide
  • Etiocholanolone glucuronide
  • Glucopyranosiduronic acid, 17-oxo-5beta-androstan-3alpha-yl, beta-D-
  • NSC-113100
  • UNII-9LK4DML9R2

Registry Numbers

CAS Registry Number

  • 3602-09-3

FDA UNII

  • 9LK4DML9R2

System Generated Number

  • 0003602093

Structure Descriptors

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+/m1/s1

InChIKey

VFUIRAVTUVCQTF-SDHZCXLISA-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