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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32F2O6
Molecular Weight 454.5041
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-2.ALPHA.,9-DIFLUOROPREGN-4-ENE-3,20-DIONE CYCLIC 16,17-ACETONIDE

SMILES

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

InChI

InChIKey=YNALNBBXJYULHD-XQJFNSGMSA-N
InChI=1S/C24H32F2O6/c1-20(2)31-19-8-14-13-6-5-12-7-16(28)15(25)9-21(12,3)23(13,26)17(29)10-22(14,4)24(19,32-20)18(30)11-27/h7,13-15,17,19,27,29H,5-6,8-11H2,1-4H3/t13-,14-,15+,17-,19+,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-2.ALPHA.,9-DIFLUOROPREGN-4-ENE-3,20-DIONE CYCLIC 16,17-ACETONIDE
Systematic Name English
PREGN-4-ENE-3,20-DIONE, 2.ALPHA.,9-DIFLUORO-11 .BETA.,16.ALPHA.,17,21-TETRAHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE
Systematic Name English
PREGN-4-ENE-3,20-DIONE, 2.ALPHA.,9-DIFLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE
Systematic Name English
Code System Code Type Description
PUBCHEM
155928965
Created by admin on Fri Dec 15 15:20:09 GMT 2023 , Edited by admin on Fri Dec 15 15:20:09 GMT 2023
PRIMARY
FDA UNII
YTJ3MK323R
Created by admin on Fri Dec 15 15:20:09 GMT 2023 , Edited by admin on Fri Dec 15 15:20:09 GMT 2023
PRIMARY
CAS
2261-22-5
Created by admin on Fri Dec 15 15:20:09 GMT 2023 , Edited by admin on Fri Dec 15 15:20:09 GMT 2023
PRIMARY