Analyte Name

20alpha-Dihydro Pregnenolone-d5 3-Sulfate Sodium Salt

Molecular Formula

C21 D5 H28 Na O5 S

Molecular Weight

425.569

Accurate Mass

425.226

SMILES

[2H]C([2H])([2H])[C@]([2H])(O)[C@@]1([2H])CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O[Na]

InChI

InChI=1S/C21H34O5S.Na/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;/h4,13,15-19,22H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t13-,15-,16-,17+,18-,19-,20-,21+;/m0./s1/i1D3,13D,17D;

IUPAC

[(3S,8S,9S,10R,13S,14S,17S)-17-deuterio-10,13-dimethyl-17-[(1S)-1,2,2,2-tetradeuterio-1-hydroxyethyl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxysulfonyloxysodium

Unlabelled CAS Number

131320-06-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat