Analyte Name

(3beta,5alpha)-Pregnan-20-one-3-hydroxy-d5 Cyclic 1,2-Ethanediyl Acetal (beta-isomer)

Molecular Formula

C23 D5 H33 O3

Molecular Weight

367.577

Accurate Mass

367.313

SMILES

[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C5(C)OCCO5)[C@@H]3CC[C@H]2C([2H])([2H])[C@@]1([2H])O

InChI

InChI=1S/C23H38O3/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/h15-20,24H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-,22-/m0/s1/i8D2,14D2,16D

IUPAC

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

Unlabelled CAS Number

2124-26-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat