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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H40O3
Molecular Weight 388.5833
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL .DELTA.5-3.BETA.-HYDROXYCHOLANOATE

SMILES

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChIKey=IMNIZYXAQQBADI-OZECAXSSSA-N
InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h6,16,18-22,26H,5,7-15H2,1-4H3/t16-,18+,19+,20-,21+,22+,24+,25-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL .DELTA.5-3.BETA.-HYDROXYCHOLANOATE
Systematic Name English
L-601920-0
Preferred Name English
METHYL 3.BETA.-HYDROXYCHOL-5-ENOATE
Systematic Name English
NSC-84140
Code English
CHOL-5-EN-24-OIC ACID, 3-HYDROXY-, METHYL ESTER, (3.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11153463
Created by admin on Mon Mar 31 17:34:15 GMT 2025 , Edited by admin on Mon Mar 31 17:34:15 GMT 2025
PRIMARY
FDA UNII
6ZLS7I6QFI
Created by admin on Mon Mar 31 17:34:15 GMT 2025 , Edited by admin on Mon Mar 31 17:34:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID80942338
Created by admin on Mon Mar 31 17:34:15 GMT 2025 , Edited by admin on Mon Mar 31 17:34:15 GMT 2025
PRIMARY
NSC
84140
Created by admin on Mon Mar 31 17:34:15 GMT 2025 , Edited by admin on Mon Mar 31 17:34:15 GMT 2025
PRIMARY
CAS
20231-57-6
Created by admin on Mon Mar 31 17:34:15 GMT 2025 , Edited by admin on Mon Mar 31 17:34:15 GMT 2025
PRIMARY