Analyte Name

5-Androsten-3a,17a-diol 17-sulfate Sodium-D3

Molecular Formula

C19 D3 H26 Na O5 S

Molecular Weight

395.504

Accurate Mass

395.182

SMILES

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

InChI

InChI=1S/C19H30O5S.Na/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18;/h11,13-17,20H,3-10H2,1-2H3,(H,21,22,23);/q;+1/p-1/t13-,14+,15+,16+,17-,18+,19+;/m1./s1/i6D2,17D;

IUPAC

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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat