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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32F2O5
Molecular Weight 438.5047
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AY-13635-6

SMILES

[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]4(F)[C@@]2([H])C[C@H](F)C5=CC(=O)CC[C@]45C

InChI

InChIKey=XUIBOMXESCABIR-JDSGHREYSA-N
InChI=1S/C24H32F2O5/c1-12(27)24-19(30-20(2,3)31-24)10-14-15-9-17(25)16-8-13(28)6-7-21(16,4)23(15,26)18(29)11-22(14,24)5/h8,14-15,17-19,29H,6-7,9-11H2,1-5H3/t14-,15-,17-,18-,19+,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H32F2O5
Molecular Weight 438.5047
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 Fri Dec 15 15:08:19 GMT 2023
Edited
by admin
on Fri Dec 15 15:08:19 GMT 2023
Record UNII
YFV1DRF6SQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AY-13635-6
Code English
PREGN-4-ENE-3,20-DIONE, 6,9-DIFLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (6.ALPHA.,11.BETA.,16.ALPHA.)-
Systematic Name English
PREGN-4-ENE-3,20-DIONE, 6.ALPHA.,9-DIFLUORO-11.BETA.,16.ALPHA.,17-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE
Systematic Name English
6.ALPHA.,9-DIFLUORO-11.BETA.,16.ALPHA.,17-TRIHYDROXYPREGN-4-EN-3,20-DIONE-16,17-ACETONIDE
Systematic Name English
Code System Code Type Description
CAS
3044-23-3
Created by admin on Fri Dec 15 15:08:19 GMT 2023 , Edited by admin on Fri Dec 15 15:08:19 GMT 2023
PRIMARY
FDA UNII
YFV1DRF6SQ
Created by admin on Fri Dec 15 15:08:19 GMT 2023 , Edited by admin on Fri Dec 15 15:08:19 GMT 2023
PRIMARY
PUBCHEM
133082934
Created by admin on Fri Dec 15 15:08:19 GMT 2023 , Edited by admin on Fri Dec 15 15:08:19 GMT 2023
PRIMARY