(3α,5β,6α)-23-Carboxy-3-hydroxy-24-norcholan-6-yl β-D-glucopyranosiduronic acid

CAS Registry Number®

76060-17-8

CAS Name

(3α,5β,6α)-23-Carboxy-3-hydroxy-24-norcholan-6-yl β-D-glucopyranosiduronic acid

Molecular Formula

C30H48O10

Molecular Mass

568.70

Cite this Page

(3α,5β,6α)-23-Carboxy-3-hydroxy-24-norcholan-6-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=76060-17-8 (retrieved 2024-11-21) (CAS RN: 76060-17-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1

InChIKey

InChIKey=MAXKTGFGXCXJFY-HHUAQUJWSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3CC(OC4OC(C(=O)O)C(O)C(O)C4O)C5CC(O)CCC5(C)C3CCC12C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3α,5β,6α)-23-carboxy-3-hydroxy-24-norcholan-6-yl
  • (3α,5β,6α)-23-Carboxy-3-hydroxy-24-norcholan-6-yl β-D-glucopyranosiduronic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration