Analyte Name

Prednisolone Hemisuccinate-d8

Molecular Formula

C25 D8 H24 O8

Molecular Weight

468.566

Accurate Mass

468.26

SMILES

[2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])CC3[C@@H]4CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]4(C)C([2H])([2H])[C@]([2H])(O)[C@]23[2H]

InChI

InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16?,17-,18-,22+,23-,24-,25-/m0/s1/i3D2,7D,11D,12D2,18D,22D

IUPAC

4-[2-[(9S,10R,11S,13S,14S,17R)-2,4,6,6,9,11,12,12-octadeuterio-11,17-dihydroxy-10,13-dimethyl-3-oxo-8,14,15,16-tetrahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid

Unlabelled CAS Number

2920-86-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat