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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H44O5
Molecular Weight 436.6246
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL CHOLATE

SMILES

CCOC(=O)CC[C@@H](C)[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=FPDXMWHJGOCDQJ-HZAMXZRMSA-N
InChI=1S/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H44O5
Molecular Weight 436.6246
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 Mon Mar 31 19:54:22 GMT 2025
Edited
by admin
on Mon Mar 31 19:54:22 GMT 2025
Record UNII
1AB03YEQ1S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL CHOLATE
Common Name English
CHOLIC ACID ETHYL ESTER
Preferred Name English
5.BETA.-CHOLANIC ACID-3.ALPHA.,7.ALPHA.,12.ALPHA.-TRIOL ETHYL ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
256-328-1
Created by admin on Mon Mar 31 19:54:22 GMT 2025 , Edited by admin on Mon Mar 31 19:54:22 GMT 2025
PRIMARY
CAS
47676-48-2
Created by admin on Mon Mar 31 19:54:22 GMT 2025 , Edited by admin on Mon Mar 31 19:54:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID50963898
Created by admin on Mon Mar 31 19:54:22 GMT 2025 , Edited by admin on Mon Mar 31 19:54:22 GMT 2025
PRIMARY
PUBCHEM
6452096
Created by admin on Mon Mar 31 19:54:22 GMT 2025 , Edited by admin on Mon Mar 31 19:54:22 GMT 2025
PRIMARY
FDA UNII
1AB03YEQ1S
Created by admin on Mon Mar 31 19:54:22 GMT 2025 , Edited by admin on Mon Mar 31 19:54:22 GMT 2025
PRIMARY