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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H33FO6S
Molecular Weight 492.6
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-(ACETYLTHIO)-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

SMILES

[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CSC(C)=O)[C@@]1(C)C[C@H](O)[C@@]4(F)[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=GRRBVWYTAUOCHX-VHDCPBDGSA-N
InChI=1S/C26H33FO6S/c1-14(28)34-13-20(31)26-21(32-22(2,3)33-26)11-18-17-7-6-15-10-16(29)8-9-23(15,4)25(17,27)19(30)12-24(18,26)5/h8-10,17-19,21,30H,6-7,11-13H2,1-5H3/t17-,18-,19-,21+,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
21-(ACETYLTHIO)-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-
Common Name English
9-FLUORO-11B,16A,17-TRIHYDROXY-21-MERCAPTOPREGNA-1,4-DIENE-3,20-DIONE-16,17-ACETONIDE-21-ACETATE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLTHIO)-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
BCZ3IO17HK
Created by admin on Fri Dec 15 15:46:23 GMT 2023 , Edited by admin on Fri Dec 15 15:46:23 GMT 2023
PRIMARY
PUBCHEM
91617988
Created by admin on Fri Dec 15 15:46:23 GMT 2023 , Edited by admin on Fri Dec 15 15:46:23 GMT 2023
PRIMARY
CAS
52600-26-7
Created by admin on Fri Dec 15 15:46:23 GMT 2023 , Edited by admin on Fri Dec 15 15:46:23 GMT 2023
PRIMARY