Analyte Name

4-Androsten-3beta,17beta-diol Disulfate Disodium Salt

Molecular Formula

C19H28Na2O8S2

Molecular Weight

494.52

Accurate Mass

494.1

SMILES

C[C@]12C(CC[C@@]([H])([C@@]([H])([C@@]3(CC4)C)CC[C@@H]3OS(=O)(O[Na])=O)[C@@]14[H])=C[C@H](CC2)OS(=O)(O[Na])=O

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;;/h11,13-17H,3-10H2,1-2H3,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/t13-,14-,15-,16-,17-,18-,19-;;/m0../s1

IUPAC

sodium (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl bis(sulfate)

Alternate CAS Number

1357147-18-2

Country of Origin

CANADA

Product Format

Neat