Analyte Name

11,17,21-Trihydroxy-pregn-5-ene-3,20-dione-d4 3,20-Diethylene Ketal

CAS Number

134354-11-3

Molecular Formula

C25H34D4O7

Molecular Weight

454.59

Accurate Mass

454.2869

SMILES

[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CC=C3CC4(CC[C@]23C)OCCO4)[C@@H]5CC[C@](O)(C6(CO)OCCO6)[C@@]15C

InChI

InChI=1S/C25H38O7/c1-21-7-8-23(29-9-10-30-23)13-16(21)3-4-17-18-5-6-24(28,25(15-26)31-11-12-32-25)22(18,2)14-19(27)20(17)21/h3,17-20,26-28H,4-15H2,1-2H3/t17-,18-,19-,20+,21-,22-,24+/m0/s1/i14D2,19D,20D

IUPAC

(8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-17-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]-10,13-dimethylspiro[1,2,4,7,8,14,15,16-octahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11,17-diol

Unlabelled CAS Number

76338-54-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat