Oxymorphone 3-Beta-D-Glucuronide (1.0mg/ml in Acetonitrile)

Analyte Name

Oxymorphone -3beta-D-glucuronide

CAS Number

770735-01-8

Molecular Formula

C23 H27 N O10

Molecular Weight

477.46

Accurate Mass

477.1635

SMILES

CN1CC[C@]23[C@H]4Oc5c(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35

InChI

InChI=1S/C23H27NO10/c1-24-7-6-22-13-9-2-3-11(32-21-16(28)14(26)15(27)18(34-21)20(29)30)17(13)33-19(22)10(25)4-5-23(22,31)12(24)8-9/h2-3,12,14-16,18-19,21,26-28,31H,4-8H2,1H3,(H,29,30)/t12-,14+,15+,16-,18+,19+,21-,22+,23-/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[[(4R,4aS,7aR,12bS)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile