Analyte Name

Sodium Prasterone Sulfate-d5

Molecular Formula

C19 D5 H22 Na O5 S

Molecular Weight

395.5

Accurate Mass

395.179

SMILES

[2H]C1([2H])C[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)[C@@H]3CC=C2C([2H])([2H])[C@@]1([2H])OS(=O)(=O)O[Na]

InChI

InChI=1S/C19H28O5S.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;/h3,13-16H,4-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/t13-,14-,15?,16?,18-,19-;/m0./s1/i7D2,11D2,13D;

IUPAC

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

Unlabelled CAS Number

1099-87-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat