Analyte Name

17-Dehydroxy Prednisolone-d8

Molecular Formula

C21 D8 H20 O4

Molecular Weight

352.494

Accurate Mass

352.249

SMILES

[2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])CC3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)C([2H])([2H])[C@]([2H])(O)C23[2H]

InChI

InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14?,15-,16+,17-,19?,20-,21-/m0/s1/i3D2,7D,9D,10D2,17D,19D

IUPAC

(10R,11S,13S,14S,17S)-2,4,6,6,9,11,12,12-octadeuterio-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-one

Unlabelled CAS Number

13479-38-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat