Analyte Name

(3beta,5alpha,6alpha,20R)-Pregnane-3,6-diol, 20-Sodium Ethyl Sulfate

Molecular Formula

C21 H35 Na O6 S

Molecular Weight

438.554

Accurate Mass

438.205

SMILES

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

InChI

InChI=1S/C21H36O6S.Na/c1-12(27-28(24,25)26)15-4-5-16-14-11-19(23)18-10-13(22)6-8-21(18,3)17(14)7-9-20(15,16)2;/h12-19,22-23H,4-11H2,1-3H3,(H,24,25,26);/q;+1/p-1/t12-,13+,14+,15-,16+,17+,18-,19+,20-,21-;/m1./s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat