Analyte Name

Androst-5-ene-3beta, 17beta-diol 3-Sulfate Sodium Salt-d5

Molecular Formula

C19 D5 H24 Na O5 S

Molecular Weight

397.516

Accurate Mass

397.195

SMILES

[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC=C2C([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;/h3,13-17,20H,4-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/t13-,14-,15-,16-,17-,18-,19-;/m0./s1/i7D2,11D2,13D;

IUPAC

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

Unlabelled CAS Number

4299-65-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat