5alpha-Pregnan-3alpha-ol-20-one-17alpha,21,21,21-d4

Analyte Name

3alpha-Hydroxy-5alpha-pregnan-20-one-17,21,21,21-D4

CAS Number

203805-85-0

Molecular Formula

C21 H30 D4 O2

Molecular Weight

322.51811

Accurate Mass

322.281

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@](C(C([2H])([2H])[2H])=O)(CC4)[2H])[H])(CC[C@]1(C[C@H](O)CC2)[H])[H])[H]

InChI

InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1/i1D3,17D

IUPAC

2,2,2-trideuterio-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-17-deuterio-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

Unlabelled CAS Number

516-54-1

SIL Type

Deuterium

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat