(3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acid

CAS Registry Number®

14959-83-2

CAS Name

(3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acid

Molecular Formula

C24H40O5

Molecular Mass

408.57

Cite this Page

(3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14959-83-2 (retrieved 2024-11-05) (CAS RN: 14959-83-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    273-275 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19-,20+,22-,23-,24+/m0/s1

InChIKey

InChIKey=IPSHXEXQGICLQN-KLRYQPFDSA-N

SMILES

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

Canonical SMILES

O=C(O)CC(O)C(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,7,22-trihydroxy-, (3α,5β,7α,22S)-
  • 5β-Cholan-24-oic acid, 3α,7α,22β-trihydroxy-
  • (3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acid
  • Haemulcholic acid

Deleted or Replaced CAS Registry Numbers

11029-67-7

CAS INSIGHTSTM
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