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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H35FO6
Molecular Weight 462.5509
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.-FLUORO-16.ALPHA.-HYDROXY-21-ACETYLCORTEXOLONE 16,17-ACETONIDE

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O

InChI

InChIKey=WGYLYGDCAAABJO-JVRSZONHSA-N
InChI=1S/C26H35FO6/c1-14(28)31-13-21(30)26-22(32-23(2,3)33-26)12-18-16-11-20(27)19-10-15(29)6-8-24(19,4)17(16)7-9-25(18,26)5/h10,16-18,20,22H,6-9,11-13H2,1-5H3/t16-,17+,18+,20+,22-,24-,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H35FO6
Molecular Weight 462.5509
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:20:34 GMT 2023
Edited
by admin
on Fri Dec 15 15:20:34 GMT 2023
Record UNII
T717M6Z1NN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.ALPHA.-FLUORO-16.ALPHA.-HYDROXY-21-ACETYLCORTEXOLONE 16,17-ACETONIDE
Common Name English
PREGN-4-ENE-3,20-DIONE, 21-(ACETYLOXY)-6-FLUORO-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (6.ALPHA.,16.ALPHA.)-
Systematic Name English
NSC-62352
Code English
PREGN-4-ENE-3,20-DIONE, 6.ALPHA.-FLUORO-16.ALPHA.,17,21-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATE
Common Name English
CORTICOSTERONE, 11-DEOXY-6.ALPHA.-FLUORO-16.ALPHA.,17-DIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATE
Common Name English
PREGN-4-ENE-3,20-DIONE, 6.ALPHA.-FLUORO-16.ALPHA.,17,21-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, ACETATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70952385
Created by admin on Fri Dec 15 15:20:34 GMT 2023 , Edited by admin on Fri Dec 15 15:20:34 GMT 2023
PRIMARY
FDA UNII
T717M6Z1NN
Created by admin on Fri Dec 15 15:20:34 GMT 2023 , Edited by admin on Fri Dec 15 15:20:34 GMT 2023
PRIMARY
NSC
62352
Created by admin on Fri Dec 15 15:20:34 GMT 2023 , Edited by admin on Fri Dec 15 15:20:34 GMT 2023
PRIMARY
CAS
2996-37-4
Created by admin on Fri Dec 15 15:20:34 GMT 2023 , Edited by admin on Fri Dec 15 15:20:34 GMT 2023
PRIMARY
PUBCHEM
54609604
Created by admin on Fri Dec 15 15:20:34 GMT 2023 , Edited by admin on Fri Dec 15 15:20:34 GMT 2023
PRIMARY