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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27BrO5
Molecular Weight 463.361
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (11?)-21-(Acetyloxy)-9-bromo-11-hydroxypregna-1,4,16-triene-3,20-dione

SMILES

CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]12C

InChI

InChIKey=QGQTXQCKUYGDSH-XYNXPQAZSA-N
InChI=1S/C23H27BrO5/c1-13(25)29-12-19(27)18-7-6-16-17-5-4-14-10-15(26)8-9-22(14,3)23(17,24)20(28)11-21(16,18)2/h7-10,16-17,20,28H,4-6,11-12H2,1-3H3/t16-,17-,20-,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Pregna-1,4,16-triene-3,20-dione, 21-(acetyloxy)-9-bromo-11-hydroxy-, (11?)-
Preferred Name English
(11?)-21-(Acetyloxy)-9-bromo-11-hydroxypregna-1,4,16-triene-3,20-dione
Systematic Name English
Code System Code Type Description
FDA UNII
FGE6MT687F
Created by admin on Wed Apr 02 19:46:25 GMT 2025 , Edited by admin on Wed Apr 02 19:46:25 GMT 2025
PRIMARY
CAS
131711-17-6
Created by admin on Wed Apr 02 19:46:25 GMT 2025 , Edited by admin on Wed Apr 02 19:46:25 GMT 2025
PRIMARY