Analyte Name

9a,11a,12a,12b-d4 Cortisol 21-Acetate

CAS Number

134331-54-7

Molecular Formula

C23 D4 H28 O6

Molecular Weight

408.521

Accurate Mass

408.245

SMILES

[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]4CC[C@](O)(C(=O)COC(=O)C)[C@@]14C

InChI

InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1/i11D2,18D,20D

IUPAC

[2-oxo-2-[(8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate

Unlabelled CAS Number

50-03-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API; Contaminant

Product Format

Neat