α-Muricholic acid
CAS Registry Number®
2393-58-0
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CAS Name
α-Muricholic acidMolecular Formula
C24H40O5Molecular Mass
408.57Cite 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 ) (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
