Analyte Name

17-Hydroxy Pregnenolone Disulfate Disodium

Molecular Formula

C21H30O9S2.2Na

Molecular Weight

536.56

Accurate Mass

536.11

SMILES

O=S(O[C@](C(C)=O)(CC[C@@]1([H])[C@@]2([H])[C@]([C@@]3(C(C[C@H](CC3)OS(=O)(O[Na])=O)=CC2)C)([H])CC4)[C@]14C)(O[Na])=O

InChI

InChI=1S/C21H32O9S2.2Na/c1-13(22)21(30-32(26,27)28)11-8-18-16-5-4-14-12-15(29-31(23,24)25)6-9-19(14,2)17(16)7-10-20(18,21)3;;/h4,15-18H,5-12H2,1-3H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/t15-,16+,17-,18-,19-,20-,21-;;/m0../s1

IUPAC

Sodium (3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl bis(sulfate)

Country of Origin

CANADA

Product Format

Neat