3alpha,21-Dihydroxy-5alpha-pregnan-20-one-d5

Analyte Name

3alpha,21-Dihydroxy-5alpha-pregnan-20-one-d5

Molecular Formula

C21 D5 H29 O3

Molecular Weight

339.524

Accurate Mass

339.282

SMILES

[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=O)CO)[C@@H]3CC[C@H]2C([2H])([2H])[C@]1([2H])O

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-/m0/s1/i7D2,11D2,14D

IUPAC

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

Unlabelled CAS Number

567-02-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat