1,4-Pregnadien-6Alpha-methyl-11Beta,17Alpha,21-triol-3,20-dione-21,21-d2

Analyte Name

Methylprednisolone-21,21-D2

Molecular Formula

C22 D2 H28 O5

Molecular Weight

376.4829

Accurate Mass

376.2219

SMILES

[2H]C([2H])(O)C(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

InChI

InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1/i11D2

IUPAC

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

Unlabelled CAS Number

83-43-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat