Analyte Name

(3alpha,5beta,21R)-20-Acetate Pregnane-3,20-diol-d5

Molecular Formula

C23H33D5O3

Molecular Weight

367.58

Accurate Mass

367.58

SMILES

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

InChI

InChI=1S/C23H38O3/c1-14(26-15(2)24)19-7-8-20-18-6-5-16-13-17(25)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16-21,25H,5-13H2,1-4H3/t14-,16-,17-,18+,19-,20+,21+,22+,23-/m1/s1/i1D3,14D,19D

IUPAC

(R)-1-((3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl-17-d)ethyl-1,2,2,2-d4 acetate

Unlabelled CAS Number

1092542-67-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat