Cortisone-d8 (Major)

Analyte Name

Cortisone-d8

Molecular Formula

C21 D8 H20 O5

Molecular Weight

368.4933

Accurate Mass

368.2439

SMILES

[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@](O)(C(=O)C([2H])([2H])O)[C@@]4(C)CC(=O)[C@]3([2H])[C@@]2(C)CC([2H])([2H])C1=O

InChI

InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1/i3D2,5D2,9D,11D2,18D

IUPAC

(8S,9S,10R,13S,14S,17R)-2,2,4,6,6,9-hexadeuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-17-hydroxy-10,13-dimethyl-7,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

Alternate CAS Number

53-06-5

Unlabelled CAS Number

53-06-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Cortisone Acetate; Cortisone

Purity

>95% (HPLC)