Analyte Name

Sodium Epiandrosterone-16,16-D2 Sulfate

Molecular Formula

C19 D2 H27 O5 S . Na

Molecular Weight

394.498

Accurate Mass

394.176

SMILES

[Na+].[2H]C1([2H])C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)OS(=O)(=O)[O-]

InChI

InChI=1S/C19H30O5S.Na/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;/h12-16H,3-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/t12-,13-,14-,15-,16-,18-,19-;/m0./s1/i6D2;

IUPAC

sodium;[(3S,5S,8R,9S,10S,13S,14S)-16,16-dideuterio-10,13-dimethyl-17-oxo-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate

Unlabelled CAS Number

22229-22-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat