(5a)-Pregnane-3,20-dione-d4 Cyclic 20-(1,2-Ethanediyl Acetal)

Analyte Name

(5alpha)-Pregnane-3,20-dione-d4 Cyclic 20-(1,2-Ethanediyl Acetal)

Molecular Formula

C23H32D4O3

Molecular Weight

364.55

Accurate Mass

364.29

SMILES

[H][C@]12C([2H])([2H])C(C([2H])([2H])C[C@]1(C)[C@]3([H])[C@@]([C@@](CC[C@@H]4C5(C)OCCO5)([H])[C@]4(C)CC3)([H])CC2)=O

InChI

InChI=1S/C23H36O3/c1-21-10-8-16(24)14-15(21)4-5-17-18-6-7-20(23(3)25-12-13-26-23)22(18,2)11-9-19(17)21/h15,17-20H,4-14H2,1-3H3/t15-,17-,18-,19-,20-,21-,22-/m0/s1/i8D2,14D2

IUPAC

(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one-2,2,4,4-d4

Unlabelled CAS Number

1452-23-9

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat