Etiocholanolone glucuronide

CAS Registry Number®

3602-09-3

CAS Name

Etiocholanolone glucuronide

Molecular Formula

C25H38O8

Molecular Mass

466.56

Cite this Page

Etiocholanolone glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3602-09-3 (retrieved 2024-11-21) (CAS RN: 3602-09-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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+/m1/s1

InChIKey

InChIKey=VFUIRAVTUVCQTF-SDHZCXLISA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CC[C@@]1(C[C@H](O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)CC2)[H])[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4C5CCC(=O)C5(C)CCC43)C2)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3α,5β)-17-oxoandrostan-3-yl
  • Glucopyranosiduronic acid, 17-oxo-5β-androstan-3α-yl, β-D-
  • (3α,5β)-17-Oxoandrostan-3-yl β-D-glucopyranosiduronic acid
  • Etiocholanolone glucuronide
  • Etiocholanolone glucuronoside

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Deleted or Replaced CAS Registry Numbers

30330-53-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration