(6a,​11b,​16a,​17a)​-6,​9-​Difluoro-​11-​hydroxy-​16-​methyl-​17-​(2-​methyl-​1-​oxopropoxy)​-​3-​oxo-androsta-​1,​4-​diene-​17-​carbothioic Acid

Analyte Name

(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-17-(2-methyl-1-oxopropoxy)-3-oxo-androsta-1,4-diene-17-carbothioic Acid

CAS Number

884332-14-3

Molecular Formula

C25H32F2O5S

Molecular Weight

482.58

Accurate Mass

482.1939

SMILES

CC(C)C(=O)O[C@@]1([C@H](C)C[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@]12C)C(=O)S

InChI

InChI=1S/C25H32F2O5S/c1-12(2)20(30)32-25(21(31)33)13(3)8-15-16-10-18(26)17-9-14(28)6-7-22(17,4)24(16,27)19(29)11-23(15,25)5/h6-7,9,12-13,15-16,18-19,29H,8,10-11H2,1-5H3,(H,31,33)/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1

IUPAC

(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-(2-methylpropanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat