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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H42O2
Molecular Weight 374.5998
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL CHOLANATE, (5.BETA.)-

SMILES

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

InChI

InChIKey=YHTRVWPOAJKWBV-ZXKBGTPZSA-N
InChI=1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
5.BETA.-CHOLANIC ACID METHYL ESTER
Preferred Name English
METHYL CHOLANATE, (5.BETA.)-
Common Name English
CHOLAN-24-OIC ACID, METHYL ESTER, (5.BETA.)-
Systematic Name English
METHYL-5.BETA.-CHOLAN-24-OATE
Systematic Name English
METHYL-5.BETA.-CHOLANOATE
Systematic Name English
METHYL 5.BETA.-CHOLANATE
Systematic Name English
Code System Code Type Description
CAS
2204-14-0
Created by admin on Mon Mar 31 22:21:01 GMT 2025 , Edited by admin on Mon Mar 31 22:21:01 GMT 2025
PRIMARY
PUBCHEM
10339412
Created by admin on Mon Mar 31 22:21:01 GMT 2025 , Edited by admin on Mon Mar 31 22:21:01 GMT 2025
PRIMARY
FDA UNII
4JP0S5G9XV
Created by admin on Mon Mar 31 22:21:01 GMT 2025 , Edited by admin on Mon Mar 31 22:21:01 GMT 2025
PRIMARY