Cortisol-9,12,12-d3

Analyte Name

Cortisol-9,12,12-d3

CAS Number

115699-92-8

Molecular Formula

C21 D3 H27 O5

Molecular Weight

365.48

Accurate Mass

365.2282

SMILES

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

InChI

InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1/i10D2,18D

IUPAC

(8S,9S,10R,11S,13S,14S,17R)-9,12,12-trideuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

Unlabelled CAS Number

50-23-7

SIL Type

Deuterium

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

98 atom % D, min 98% Chemical Purity