α-Muricholic acid

enlarge

Systematic / IUPAC Name: (4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-Trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

ID: Reference14064

Other Names: α-Muricholate;
AA-2807

Formula: C24H40O5

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

α-Muricholic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 1646
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/25/2026 2:49:12 PM
View Mass Spec Data > >

Identificators

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
InChI Key DKPMWHFRUGMUKF-GDYCBZMLSA-N
Canonical SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CAS
Splash
Other Names α-Muricholate;
AA-2807

In Other Databases

KEGG C17647
ChEBI CHEBI:81243
PubChem 5283852
ChemSpider 4446940