(11α)-3,20-Dioxopregn-4-en-11-yl β-D-glucopyranosiduronic acid

CAS Registry Number®

77710-64-6

CAS Name

(11α)-3,20-Dioxopregn-4-en-11-yl β-D-glucopyranosiduronic acid

Molecular Formula

C27H38O9

Molecular Mass

506.59

Cite this Page

(11α)-3,20-Dioxopregn-4-en-11-yl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77710-64-6 (retrieved 2024-11-22) (CAS RN: 77710-64-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H38O9/c1-12(28)16-6-7-17-15-5-4-13-10-14(29)8-9-26(13,2)19(15)18(11-27(16,17)3)35-25-22(32)20(30)21(31)23(36-25)24(33)34/h10,15-23,25,30-32H,4-9,11H2,1-3H3,(H,33,34)/t15-,16+,17-,18+,19+,20-,21-,22+,23-,25+,26-,27+/m0/s1

InChIKey

InChIKey=WVTMNZAPPOMZST-RKCIHFDFSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@H]3O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C(C)=O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CC3(C)C(C(=O)C)CCC3C4CCC5=CC(=O)CCC5(C)C24)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (11α)-3,20-dioxopregn-4-en-11-yl
  • (11α)-3,20-Dioxopregn-4-en-11-yl β-D-glucopyranosiduronic acid
  • 11α-Hydroxyprogesterone 11-glucuronide
  • 11α-Glucuronylprogesterone

Deleted or Replaced CAS Registry Numbers

129238-72-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration