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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30F2O5S
Molecular Weight 468.554
Optical Activity ( - )
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (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-CARBOTHIOIC ACID

SMILES

[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(S)=O)[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=QGESYFOFLPJDJW-CQRCZTONSA-N
InChI=1S/C24H30F2O5S/c1-5-19(29)31-24(20(30)32)12(2)8-14-15-10-17(25)16-9-13(27)6-7-21(16,3)23(15,26)18(28)11-22(14,24)4/h6-7,9,12,14-15,17-18,28H,5,8,10-11H2,1-4H3,(H,30,32)/t12-,14+,15+,17+,18+,21+,22+,23+,24+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(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-CARBOTHIOIC ACID
Systematic Name English
ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID401019402
Created by admin on Sat Dec 16 11:23:30 GMT 2023 , Edited by admin on Sat Dec 16 11:23:30 GMT 2023
PRIMARY
PUBCHEM
10053741
Created by admin on Sat Dec 16 11:23:30 GMT 2023 , Edited by admin on Sat Dec 16 11:23:30 GMT 2023
PRIMARY
CAS
80474-45-9
Created by admin on Sat Dec 16 11:23:30 GMT 2023 , Edited by admin on Sat Dec 16 11:23:30 GMT 2023
PRIMARY
FDA UNII
YXC5X4NLK5
Created by admin on Sat Dec 16 11:23:30 GMT 2023 , Edited by admin on Sat Dec 16 11:23:30 GMT 2023
PRIMARY