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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H31F3O6S
Molecular Weight 552.602
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-17-[[(3-methyl-2-furanyl)carbonyl]oxy]-3-oxo-, S-(fluoromethyl) ester, (6?,11?,16?,17?)-

SMILES

C[C@@H]1C[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@]2(C)[C@@]1(OC(=O)C5=C(C)C=CO5)C(=O)SCF

InChI

InChIKey=NEGQCCIPPCOAFZ-HFYPQKGZSA-N
InChI=1S/C28H31F3O6S/c1-14-6-8-36-22(14)23(34)37-28(24(35)38-13-29)15(2)9-17-18-11-20(30)19-10-16(32)5-7-25(19,3)27(18,31)21(33)12-26(17,28)4/h5-8,10,15,17-18,20-21,33H,9,11-13H2,1-4H3/t15-,17+,18+,20+,21+,25+,26+,27+,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-17-[[(3-methyl-2-furanyl)carbonyl]oxy]-3-oxo-, S-(fluoromethyl) ester, (6?,11?,16?,17?)-
Preferred Name English
Code System Code Type Description
CAS
398455-10-2
Created by admin on Wed Apr 02 19:53:19 GMT 2025 , Edited by admin on Wed Apr 02 19:53:19 GMT 2025
PRIMARY
PUBCHEM
10166206
Created by admin on Wed Apr 02 19:53:19 GMT 2025 , Edited by admin on Wed Apr 02 19:53:19 GMT 2025
PRIMARY
FDA UNII
9V85237XQG
Created by admin on Wed Apr 02 19:53:19 GMT 2025 , Edited by admin on Wed Apr 02 19:53:19 GMT 2025
PRIMARY