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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H31F3O6
Molecular Weight 484.5052
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUOROMETHYL (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIENE-17-CARBOXYLATE

SMILES

[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)OCF)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]2([H])C[C@H](F)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=ZJOOJHDTIMPNCY-CENSZEJFSA-N
InChI=1S/C25H31F3O6/c1-5-20(31)34-25(21(32)33-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
FLUOROMETHYL (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIENE-17-CARBOXYLATE
Systematic Name English
ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, 6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-, FLUOROMETHYL ESTER, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
78EC7RJ4C2
Created by admin on Sat Dec 16 19:08:55 GMT 2023 , Edited by admin on Sat Dec 16 19:08:55 GMT 2023
PRIMARY
CAS
1174034-79-7
Created by admin on Sat Dec 16 19:08:55 GMT 2023 , Edited by admin on Sat Dec 16 19:08:55 GMT 2023
PRIMARY
PUBCHEM
162623501
Created by admin on Sat Dec 16 19:08:55 GMT 2023 , Edited by admin on Sat Dec 16 19:08:55 GMT 2023
PRIMARY