1β-Hydroxydeoxycholic acid

CAS Registry Number®

80434-32-8

CAS Name

1β-Hydroxydeoxycholic acid

Molecular Formula

C24H40O5

Molecular Mass

408.57

Cite this Page

1β-Hydroxydeoxycholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80434-32-8 (retrieved 2024-11-21) (CAS RN: 80434-32-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1

InChIKey

InChIKey=DAKYVYUAVGJDRK-FPUZENINSA-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])(CC[C@@]1(C[C@H](O)C[C@H]2O)[H])[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CC(O)C4(C)C3CC(O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 1,3,12-trihydroxy-, (1β,3α,5β,12α)-
  • (1β,3α,5β,12α)-1,3,12-Trihydroxycholan-24-oic acid
  • 1β,3α,12α-Trihydroxy-5β-cholan-24-oic acid
  • 1β-Hydroxydeoxycholic acid
  • 1β,3α,12α-Trihydroxy-5β-cholanoic acid

Deleted or Replaced CAS Registry Numbers

117997-13-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration