α-Muricholic acid

CAS Registry Number®

2393-58-0

CAS Name

α-Muricholic acid

Molecular Formula

C24H40O5

Molecular Mass

408.57

Cite this Page

α-Muricholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2393-58-0 (retrieved 2024-11-21) (CAS RN: 2393-58-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200-202 °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(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1

InChIKey

InChIKey=DKPMWHFRUGMUKF-GDYCBZMLSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)[C@@H](O)[C@@]1(C[C@H](O)CC2)[H])[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,6,7-trihydroxy-, (3α,5β,6β,7α)-
  • α-Muricholic acid
  • 5β-Cholan-24-oic acid, 3α,6β,7α-trihydroxy-
  • 5β-Cholanic acid, 3α,6β,7α-trihydroxy-
  • (3α,5β,6β,7α)-3,6,7-Trihydroxycholan-24-oic acid

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