1β-Hydroxycholic acid

CAS Registry Number®

80875-94-1

CAS Name

1β-Hydroxycholic acid

Molecular Formula

C24H40O6

Molecular Mass

424.57

Cite this Page

1β-Hydroxycholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80875-94-1 (retrieved 2025-04-16) (CAS RN: 80875-94-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O6/c1-12(4-7-21(29)30)15-5-6-16-22-17(11-20(28)24(15,16)3)23(2)13(9-18(22)26)8-14(25)10-19(23)27/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14+,15-,16+,17+,18-,19-,20+,22+,23+,24-/m1/s1

InChIKey

InChIKey=UYVVLXVBEQAATF-WAIVXGPNSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)([C@@H](O)C3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)C[C@@]1(C[C@H](O)C[C@H]2O)[H])[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CC(O)C4(C)C3CC(O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 1,3,7,12-tetrahydroxy-, (1β,3α,5β,7α,12α)-
  • (1β,3α,5β,7α,12α)-1,3,7,12-Tetrahydroxycholan-24-oic acid
  • 1β-Hydroxycholic acid
  • 1β,3α,7α,12α-Tetrahydroxy-5β-cholanoic acid
  • 1β,3α,7α,12α-Tetrahydroxy-5β-cholan-24-oic acid

CAS INSIGHTSTM
Cell Membrane Phospholipid Structure,Phospholipid bilayer of the cell membrane, Lipid bilayer