Analyte Name

Pseudohydromorphone

CAS Number

2139240-60-9

Molecular Formula

C34 H36 N2 O6

Molecular Weight

568.66

Measured Value

1 mg/mL

Accurate Mass

568.2573

SMILES

CN1CC[C@@]23[C@H]4CCC(=O)[C@@H]2Oc5c(O)c(cc(C[C@@H]14)c35)c6cc7C[C@@H]8[C@@H]9CCC(=O)[C@@H]%10Oc(c6O)c7[C@]9%10CCN8C

InChI

InChI=1S/C34H36N2O6/c1-35-9-7-33-19-3-5-23(37)31(33)41-29-25(33)15(13-21(19)35)11-17(27(29)39)18-12-16-14-22-20-4-6-24(38)32-34(20,8-10-36(22)2)26(16)30(42-32)28(18)40/h11-12,19-22,31-32,39-40H,3-10,13-14H2,1-2H3/t19-,20-,21+,22+,31-,32-,33-,34-/m0/s1

IUPAC

(4R,4aR,7aR,12bS)-10-[(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-10-yl]-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile