Analyte Name

Prednisolone-d8 21-beta-D-Glucuronide

Molecular Formula

C27 D8 H28 O11

Molecular Weight

544.617

Accurate Mass

544.276

SMILES

[2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])C[C@H]3[C@@H]4CC[C@](O)(C(=O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)[C@@]4(C)C([2H])([2H])[C@]([2H])(O)[C@]23[2H]

InChI

InChI=1S/C27H36O11/c1-25-7-5-13(28)9-12(25)3-4-14-15-6-8-27(36,26(15,2)10-16(29)18(14)25)17(30)11-37-24-21(33)19(31)20(32)22(38-24)23(34)35/h5,7,9,14-16,18-22,24,29,31-33,36H,3-4,6,8,10-11H2,1-2H3,(H,34,35)/t14-,15-,16-,18+,19-,20-,21+,22-,24+,25-,26-,27-/m0/s1/i3D2,5D,9D,10D2,16D,18D

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[(8S,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]oxane-2-carboxylic acid

Unlabelled CAS Number

512165-95-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat