Lithocholic acid 3-glucuronide

CAS Registry Number®

75239-91-7

CAS Name

Lithocholic acid 3-glucuronide

Molecular Formula

C30H48O9

Molecular Mass

552.70

Cite this Page

Lithocholic acid 3-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75239-91-7 (retrieved 2025-01-11) (CAS RN: 75239-91-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O9/c1-15(4-9-22(31)32)19-7-8-20-18-6-5-16-14-17(10-12-29(16,2)21(18)11-13-30(19,20)3)38-28-25(35)23(33)24(34)26(39-28)27(36)37/h15-21,23-26,28,33-35H,4-14H2,1-3H3,(H,31,32)(H,36,37)/t15-,16-,17-,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1

InChIKey

InChIKey=GIQXKAXWRLHLDD-VYACWCJYSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3α,5β)-23-carboxy-24-norcholan-3-yl
  • (3α,5β)-23-Carboxy-24-norcholan-3-yl β-D-glucopyranosiduronic acid
  • Lithocholic acid 3-glucuronide
  • Lithocholic acid 3-O-glucuronide

Deleted or Replaced CAS Registry Numbers

126366-58-3

CAS INSIGHTSTM
Antibodies (immunoglobulins) are responsible for specific immunity