Analyte Name

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

CAS Number

4299-65-4

Molecular Formula

C19 H29 Na O5 S

Molecular Weight

392.485

Accurate Mass

392.163

SMILES

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OS(=O)(=O)O[Na])[C@@H]1CC[C@@H]2O

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

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat