Analyte Name

(6alpha,11beta,16alpha,17alpha)-17-(Acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-androsta-1,4-diene-17-carbothioic Acid S-(Iodomethyl) Ester

CAS Number

80474-71-1

Molecular Formula

C24H29F2IO5S

Molecular Weight

594.45

Accurate Mass

594.07

SMILES

O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(OC(=O)C)(C(=O)SCI)C4(C)CC(O)C32F)C

InChI

InChI=1S/C24H29F2IO5S/c1-12-7-15-16-9-18(25)17-8-14(29)5-6-21(17,3)23(16,26)19(30)10-22(15,4)24(12,32-13(2)28)20(31)33-11-27/h5-6,8,12,15-16,18-19,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21+,22+,23+,24+/m1/s1

IUPAC

6,9-difluoro-11-hydroxy-17-(((iodomethyl)thio)carbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat