(3α,4β,5β,12α)-3,4,12-Trihydroxycholan-24-oic acid

CAS Registry Number®

129012-50-6

CAS Name

(3α,4β,5β,12α)-3,4,12-Trihydroxycholan-24-oic acid

Molecular Formula

C24H40O5

Molecular Mass

408.57

Cite this Page

(3α,4β,5β,12α)-3,4,12-Trihydroxycholan-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129012-50-6 (retrieved 2024-11-05) (CAS RN: 129012-50-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151-152 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=FRYVQXCDSBCDAU-AKDOOQIZSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)([C@@H](O)[C@H](O)CC4)[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3CCC4C(O)C(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,4,12-trihydroxy-, (3α,4β,5β,12α)-
  • (3α,4β,5β,12α)-3,4,12-Trihydroxycholan-24-oic acid

CAS INSIGHTSTM
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