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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H46O3
Molecular Weight 406.6416
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAR-501, 7?-

SMILES

CC[C@@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCO)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14

InChI

InChIKey=DQBAHTQWQZRMFH-GRVUFFLBSA-N
InChI=1S/C26H46O3/c1-5-18-22-15-17(28)10-12-26(22,4)21-11-13-25(3)19(16(2)7-6-14-27)8-9-20(25)23(21)24(18)29/h16-24,27-29H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22+,23+,24-,25-,26-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GP-BAR1 agonist BAR-501 impurity
Preferred Name English
BAR-501, 7?-
Code English
Cholane-3,7,24-triol, 6-ethyl-, (3?,5?,6?,7?)-
Systematic Name English
(3?,5?,6?,7?)-6-Ethylcholane-3,7,24-triol
Systematic Name English
Code System Code Type Description
PUBCHEM
101886306
Created by admin on Wed Apr 02 19:05:39 GMT 2025 , Edited by admin on Wed Apr 02 19:05:39 GMT 2025
PRIMARY
FDA UNII
A7W897DF2V
Created by admin on Wed Apr 02 19:05:39 GMT 2025 , Edited by admin on Wed Apr 02 19:05:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID501272984
Created by admin on Wed Apr 02 19:05:39 GMT 2025 , Edited by admin on Wed Apr 02 19:05:39 GMT 2025
PRIMARY
CAS
1632118-70-7
Created by admin on Wed Apr 02 19:05:39 GMT 2025 , Edited by admin on Wed Apr 02 19:05:39 GMT 2025
PRIMARY