Analyte Name

5alpha-Androstane-3alpha,17beta-diol Disulfate-d3

Molecular Formula

C19 D3 H29 O8 S2

Molecular Weight

455.601

Accurate Mass

455.173

SMILES

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

InChI

InChI=1S/C19H32O8S2/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/h12-17H,3-11H2,1-2H3,(H,20,21,22)(H,23,24,25)/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1/i6D2,17D

IUPAC

[(3R,5S,8R,9S,10S,13S,14S,17S)-16,16,17-trideuterio-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate

Unlabelled CAS Number

21152-49-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat