Hyodeoxycholic acid

enlarge

Systematic / IUPAC Name: (4R)-4-[(3R,6S,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-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: Reference13927

Other Names: 3a,6a-Dihydroxy-5b-cholanoic acid;
a-Hyodeoxycholic acid;
Hyodesoxycholate;
(3α,6α)-3,6-Dihydroxycholan-24-oic acid;
AA-3676

Formula: C24H40O4

Class: Endogenous Metabolites

Spectral Data

Hyodeoxycholic 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 745
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2026 7:49:43 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20?,21+,23-,24-/m1/s1
InChI Key DGABKXLVXPYZII-CDONHWFASA-N
Canonical SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CAS
Splash
Other Names 3a,6a-Dihydroxy-5b-cholanoic acid;
a-Hyodeoxycholic acid;
Hyodesoxycholate;
(3α,6α)-3,6-Dihydroxycholan-24-oic acid;
AA-3676

In Other Databases

PubChem 9963687; 9963687
HMDb HMDB0000733; HMDB0000733; HMDB0000733
ChemSpider 8139282