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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26BrFO4
Molecular Weight 453.342
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DB-215955

SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(Br)C(=O)CO

InChI

InChIKey=AHRBEUCKLPVLDF-JPEOZNMXSA-N
InChI=1S/C22H26BrFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)22(14)18(28-22)9-20(13,3)21(11,23)17(27)10-25/h4-5,7,11,13-14,16,18,25H,6,8-10H2,1-3H3/t11-,13+,14+,16-,18+,19+,20+,21+,22-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DB215955
Preferred Name English
DB-215955
Code English
17-Bromo-9beta,11beta-epoxy-6beta-fluoro-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
Systematic Name English
17-Bromo-9beta,11beta-epoxy-6beta-fluoro-21-hydroxy-16alpha-methylpreg
Systematic Name English
9,11-Epoxy-9H-cyclopenta[a]phenanthrene,pregna-1,4-diene-3,20-dione deriv.
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20976854
Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025
PRIMARY
CAS
61339-44-4
Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025
PRIMARY
FDA UNII
44VYR88PDA
Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025
PRIMARY
PUBCHEM
22798236
Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025
PRIMARY