(6alpha,11beta,16alpha,17alphalpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-androsta-1,4-diene-17-carbothioic Acid Anhydrosulfide with Propanethioic Acid-d6

Analyte Name

(6alpha,11beta,16alpha,17alphalpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-androsta-1,4-diene-17-carbothioic Acid Anhydrosulfide with Propanethioic Acid-d6

Molecular Formula

C27 D6 H28 F2 O6 S

Molecular Weight

530.654

Accurate Mass

530.242

SMILES

[2H]C([2H])([2H])CC(=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)SC(=O)CC([2H])([2H])[2H]

InChI

InChI=1S/C27H34F2O6S/c1-6-21(32)35-27(23(34)36-22(33)7-2)14(3)10-16-17-12-19(28)18-11-15(30)8-9-24(18,4)26(17,29)20(31)13-25(16,27)5/h8-9,11,14,16-17,19-20,31H,6-7,10,12-13H2,1-5H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1/i1D3,2D3

IUPAC

[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(3,3,3-trideuteriopropanoylsulfanylcarbonyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 3,3,3-trideuteriopropanoate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat