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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38F2O7
Molecular Weight 536.6046
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-(ACETYLOXY)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)PREGNA-1,4-DIENE-3,20-DIONE, (6.ALPHA.,11.BETA.,16.ALPHA.)-

SMILES

CCCCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)COC(C)=O

InChI

InChIKey=SGBZKCKAGMDBKU-DXRJZBQRSA-N
InChI=1S/C29H38F2O7/c1-6-7-8-25(36)38-29(24(35)15-37-17(3)32)16(2)11-19-20-13-22(30)21-12-18(33)9-10-26(21,4)28(20,31)23(34)14-27(19,29)5/h9-10,12,16,19-20,22-23,34H,6-8,11,13-15H2,1-5H3/t16-,19+,20+,22+,23+,26+,27+,28+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H38F2O7
Molecular Weight 536.6046
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:09:37 GMT 2025
Edited
by admin
on Mon Mar 31 18:09:37 GMT 2025
Record UNII
AHV8B1474L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)-, (6.ALPHA.,11.BETA.,16.ALPHA.)-
Preferred Name English
21-(ACETYLOXY)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)PREGNA-1,4-DIENE-3,20-DIONE, (6.ALPHA.,11.BETA.,16.ALPHA.)-
Common Name English
Code System Code Type Description
PUBCHEM
117587581
Created by admin on Mon Mar 31 18:09:37 GMT 2025 , Edited by admin on Mon Mar 31 18:09:37 GMT 2025
PRIMARY
FDA UNII
AHV8B1474L
Created by admin on Mon Mar 31 18:09:37 GMT 2025 , Edited by admin on Mon Mar 31 18:09:37 GMT 2025
PRIMARY
CAS
79861-40-8
Created by admin on Mon Mar 31 18:09:37 GMT 2025 , Edited by admin on Mon Mar 31 18:09:37 GMT 2025
PRIMARY