Analyte Name

3beta,16alpha-Dihydroxy-5alpha-pregnan-20-one 3-sulfate Sodium Salt

CAS Number

215377-75-6

Molecular Formula

C21 H33 Na O6 S

Molecular Weight

436.538

Accurate Mass

436.19

SMILES

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

InChI

InChI=1S/C21H34O6S.Na/c1-12(22)19-18(23)11-17-15-5-4-13-10-14(27-28(24,25)26)6-8-20(13,2)16(15)7-9-21(17,19)3;/h13-19,23H,4-11H2,1-3H3,(H,24,25,26);/q;+1/p-1/t13-,14-,15+,16-,17-,18+,19-,20-,21-;/m0./s1

IUPAC

[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-17-acetyl-16-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