5beta-Pregnan-3alpha,21-diol-20-one-17alpha,21,21-d3 (97 atom % D, min 96% Chemical Purity)

Analyte Name

5beta-Pregnan-3alpha,21-diol-20-one-17alpha,21,21-d3

CAS Number

72205-58-4

Molecular Formula

C21 D3 H31 O3

Molecular Weight

337.5114

Accurate Mass

337.2696

SMILES

[2H]C([2H])(O)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/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1/i12D2,18D

IUPAC

2,2-dideuterio-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]-2-hydroxyethanone

Unlabelled CAS Number

567-03-3

SIL Type

Deuterium

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat