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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H44O4
Molecular Weight 420.6252
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.-ETHYLURSODEOXYCHOLIC ACID

SMILES

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

InChI

InChIKey=ZXERDUOLZKYMJM-BQSOCLIVSA-N
InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24+,25-,26-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
6.ALPHA.-ETHYLURSODEOXYCHOLIC ACID
Common Name English
CHOLAN-24-OIC ACID, 6-ETHYL-3,7-DIHYDROXY-, (3.ALPHA.,5.BETA.,6.ALPHA.,7.BETA.)-
Systematic Name English
(3.ALPHA.,5.BETA.,6.ALPHA.,7.BETA.)-6-ETHYL-3,7-DIHYDROXYCHOLAN-24-OIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
11281589
Created by admin on Sat Dec 16 17:56:49 GMT 2023 , Edited by admin on Sat Dec 16 17:56:49 GMT 2023
PRIMARY
CAS
865244-30-0
Created by admin on Sat Dec 16 17:56:49 GMT 2023 , Edited by admin on Sat Dec 16 17:56:49 GMT 2023
PRIMARY
FDA UNII
SWZ19ET35C
Created by admin on Sat Dec 16 17:56:49 GMT 2023 , Edited by admin on Sat Dec 16 17:56:49 GMT 2023
PRIMARY