5beta-Pregnan-3alpha-ol-20-one-d4 (contains 10% toluene)

Analyte Name

5beta-Pregnan-3alpha-ol-20-one-d4

CAS Number

96737-93-8

Molecular Formula

C21 D4 H30 O2

Molecular Weight

322.518

Accurate Mass

322.281

SMILES

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

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-/m1/s1/i1D3,17D

IUPAC

2,2,2-trideuterio-1-[(3R,5R,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

128-20-1

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)