Analyte Name

6alpha,9alpha-Difluoro-11beta-hydroxy-16alpha-methyl-3-oxo-17alpha-(3,3,3-d3-propionyloxy)-androsta-1,4-diene-17beta-carbothioic Acid

Molecular Formula

C24H27D3F2O5S

Molecular Weight

471.57

Accurate Mass

471.2

SMILES

[H][C@@]1([C@H]2([H])C[C@@H2](C)[C@H]3([O]C(CC([2H])([2H])[2H])=O)C(S)=O)C[C@H2]([F])C4=CC(C=C[C@]4(C)[C@@H]1([F])[C@@H](O)C[C@@]23C)=O

InChI

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/i1D3

IUPAC

(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-((propanoyl-3,3,3-d3)oxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioic S-acid

Alternate CAS Number

80474-45-9

Unlabelled CAS Number

80474-45-9

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat