U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H40O5
Molecular Weight 409.5641
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLIC ACID, 24-C-13

SMILES

C[C@H](CC[13C](O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI

InChIKey=BHQCQFFYRZLCQQ-HFINQHRVSA-N
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i21+1

HIDE SMILES / InChI

Molecular Formula C24H40O5
Molecular Weight 409.5641
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:39:17 GMT 2025
Edited
by admin
on Wed Apr 02 05:39:17 GMT 2025
Record UNII
5Z5T260AYI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLIC-24-13C ACID
Preferred Name English
CHOLIC ACID, 24-C-13
Common Name English
CHOLAN-24-OIC-24-13C ACID, 3,7,12-TRIHYDROXY-, (3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-
Systematic Name English
(3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXYCHOLAN-24-OIC-24-13C ACID
Systematic Name English
Code System Code Type Description
CAS
52886-36-9
Created by admin on Wed Apr 02 05:39:17 GMT 2025 , Edited by admin on Wed Apr 02 05:39:17 GMT 2025
PRIMARY
FDA UNII
5Z5T260AYI
Created by admin on Wed Apr 02 05:39:17 GMT 2025 , Edited by admin on Wed Apr 02 05:39:17 GMT 2025
PRIMARY
PUBCHEM
66995592
Created by admin on Wed Apr 02 05:39:17 GMT 2025 , Edited by admin on Wed Apr 02 05:39:17 GMT 2025
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
Related Record Type Details
ACTIVE MOIETY