5-Androsten-3a,17a-diol 3-Sulfate Sodium

Analyte Name

5-Androsten-3a,17a-diol 3-Sulfate Sodium

Molecular Formula

C19 H31 Na O5 S

Molecular Weight

394.501

Accurate Mass

394.179

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4C[C@@H](CC[C@]34C)OS(=O)(=O)O[Na])[C@@H]1CC[C@H]2O

InChI

InChI=1S/C19H32O5S.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;/h12-17,20H,3-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/t12?,13-,14+,15+,16+,17-,18+,19+;/m1./s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat