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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H35FO8S
Molecular Weight 514.604
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

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

SMILES

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COS(C)(=O)=O

InChI

InChIKey=NBYRPIGEYGUQJG-CKRYEYFDSA-N
InChI=1S/C25H35FO8S/c1-21(2)33-20-11-17-16-7-6-14-10-15(27)8-9-22(14,3)24(16,26)18(28)12-23(17,4)25(20,34-21)19(29)13-32-35(5,30)31/h10,16-18,20,28H,6-9,11-13H2,1-5H3/t16-,17-,18-,20+,22-,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H35FO8S
Molecular Weight 514.604
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 Mon Mar 31 17:57:40 GMT 2025
Edited
by admin
on Mon Mar 31 17:57:40 GMT 2025
Record UNII
MI094O0MOF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGN-4-ENE-3,20-DIONE, 9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-21-((METHYLSULFONYL)OXY)-, (11.BETA.,16.ALPHA.)-
Preferred Name English
9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-21-((METHYLSULFONYL)OXY)PREGN-4-ENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-
Common Name English
PREGN-4-ENE-3,20-DIONE, 9-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-METHANESULFONATE
Systematic Name English
Code System Code Type Description
FDA UNII
MI094O0MOF
Created by admin on Mon Mar 31 17:57:40 GMT 2025 , Edited by admin on Mon Mar 31 17:57:40 GMT 2025
PRIMARY
PUBCHEM
22792160
Created by admin on Mon Mar 31 17:57:40 GMT 2025 , Edited by admin on Mon Mar 31 17:57:40 GMT 2025
PRIMARY
CAS
2367-73-9
Created by admin on Mon Mar 31 17:57:40 GMT 2025 , Edited by admin on Mon Mar 31 17:57:40 GMT 2025
PRIMARY