Analyte Name

Androstenediol Disulfate Disodium-D3

Molecular Formula

C19 D3 H25 Na2 O8 S2

Molecular Weight

497.549

Accurate Mass

497.121

SMILES

[2H]C1([2H])C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1([2H])OS(=O)(=O)O[Na])OS(=O)(=O)O[Na]

InChI

InChI=1S/C19H30O8S2.2Na/c1-18-9-7-13(26-28(20,21)22)11-12(18)3-4-14-15-5-6-17(27-29(23,24)25)19(15,2)10-8-16(14)18;;/h3,13-17H,4-11H2,1-2H3,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/t13-,14-,15-,16-,17-,18-,19-;;/m0../s1/i6D2,17D;;

IUPAC

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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat