Epiandrosterone Sulfate Sodium Salt-d5 (1.0 mg/ml in Methanol)

Analyte Name

Epiandrosterone Sulfate Sodium Salt-d5

Molecular Formula

C19 D5 H24 Na O5 S

Molecular Weight

397.516

Measured Value

1.0 mg/mL

Accurate Mass

397.195

SMILES

[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC[C@H]2C([2H])([2H])[C@@]1([2H])OS(=O)(=O)O[Na]

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/i7D2,11D2,13D;

IUPAC

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

Alternate CAS Number

22229-22-7

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Methanol