Analyte Name

Allopregnandiol 3-(Hydrogen Sulfate) Sodium Salt

CAS Number

215855-85-9

Molecular Formula

C21 H35 O5 S . Na

Molecular Weight

422.554

Accurate Mass

422.211

SMILES

[Na].C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)[O-]

InChI

InChI=1S/C21H36O5S.Na.H/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;;/h13-19,22H,4-12H2,1-3H3,(H,23,24,25);;/p-1/t13-,14+,15+,16+,17-,18+,19+,20+,21-;;/m1../s1

IUPAC

[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate;sodium hydride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat