3Beta,5Beta-Dihydroxy Drospirenone-d4 Ring-opened Alcohol Impurity

Analyte Name

3beta,5beta-Dihydroxy Drospirenone-d4 Ring-opened Alcohol Impurity

Molecular Formula

C24H34D4O4

Molecular Weight

394.58

Accurate Mass

394.3

SMILES

O[C@]1(C([2H])([2H])C([2H])([2H])CO)[C@@]2(C)CC[C@@]3([H])[C@@]([C@]2([H])[C@H]4[C@@H]1C4)([H])[C@@H]5[C@@H](C5)[C@]6(O)C[C@@H](O)CC[C@@]63C

InChI

InChI=1S/C24H38O4/c1-21-7-4-13(26)12-24(21,28)17-10-14(17)19-16(21)5-8-22(2)20(19)15-11-18(15)23(22,27)6-3-9-25/h13-20,25-28H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21?,22?,23-,24+/m0/s1/i3D2,6D2

IUPAC

(2S,4aR,4bS,6aS,7S,7aS,8aS,8bS,8cR,8dR,9aR,9bR)-7-(3-hydroxypropyl-1,1,2,2-d4)-4a,6a-dimethyloctadecahydro-9bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-2,7,9b-triol

Unlabelled CAS Number

82543-18-8

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat