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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H40O7S
Molecular Weight 472.635
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Chenodeoxycholic acid sulfate

SMILES

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

InChI

InChIKey=DPVCTIYTPXYDMQ-BSWAIDMHSA-N
InChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)31-32(28,29)30/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Chenodeoxycholic acid sulfate
Common Name English
(3?,5?,7?)-3-Hydroxy-7-(sulfooxy)cholan-24-oic acid
Preferred Name English
Chenodeoxycholic acid 7-sulfate
Common Name English
Chenodeoxycholate 7-monosulfate
Common Name English
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoicacid
Systematic Name English
Cholan-24-oic acid, 3-hydroxy-7-(sulfooxy)-, (3?,5?,7?)-
Common Name English
Code System Code Type Description
FDA UNII
P474ZWT7XW
Created by admin on Wed Apr 02 05:17:07 GMT 2025 , Edited by admin on Wed Apr 02 05:17:07 GMT 2025
PRIMARY
CAS
59132-31-9
Created by admin on Wed Apr 02 05:17:07 GMT 2025 , Edited by admin on Wed Apr 02 05:17:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID50610072
Created by admin on Wed Apr 02 05:17:07 GMT 2025 , Edited by admin on Wed Apr 02 05:17:07 GMT 2025
PRIMARY
PUBCHEM
20849194
Created by admin on Wed Apr 02 05:17:07 GMT 2025 , Edited by admin on Wed Apr 02 05:17:07 GMT 2025
PRIMARY