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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H40O4
Molecular Weight 392.572
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isodeoxycholic acid

SMILES

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

InChI

InChIKey=ZHCAAZIHTDCFJX-QLEQUTGBSA-N
InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H40O4
Molecular Weight 392.572
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:56:52 GMT 2025
Edited
by admin
on Wed Apr 02 05:56:52 GMT 2025
Record UNII
3TXX676B9T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isodeoxycholic acid
Common Name English
(5?,7?,12?)-7,12-Dihydroxycholan-24-oic acid
Preferred Name English
Cholan-24-oic acid, 7,12-dihydroxy-, (5?,7?,12?)-
Common Name English
(R)-4-((5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Systematic Name English
5?-Cholan-24-oic acid, 7?,12?-dihydroxy-
Common Name English
7?,12?-Dihydroxycholanoic acid
Common Name English
3-Deoxycholic acid
Common Name English
7?,12?-Dihydroxy-5?-cholanic acid
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID701315756
Created by admin on Wed Apr 02 05:56:52 GMT 2025 , Edited by admin on Wed Apr 02 05:56:52 GMT 2025
PRIMARY
PUBCHEM
164672
Created by admin on Wed Apr 02 05:56:52 GMT 2025 , Edited by admin on Wed Apr 02 05:56:52 GMT 2025
PRIMARY
CAS
566-17-6
Created by admin on Wed Apr 02 05:56:52 GMT 2025 , Edited by admin on Wed Apr 02 05:56:52 GMT 2025
PRIMARY
FDA UNII
3TXX676B9T
Created by admin on Wed Apr 02 05:56:52 GMT 2025 , Edited by admin on Wed Apr 02 05:56:52 GMT 2025
PRIMARY