Analyte Name

Pseudomorphine

CAS Number

125-24-6

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]4Oc5c(O)c(cc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35)c6cc7C[C@@H]8[C@@H]9C=C[C@H](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/h3-6,11-12,19-24,31-32,37-40H,7-10,13-14H2,1-2H3/t19-,20-,21+,22+,23-,24-,31-,32-,33-,34-/m0/s1

IUPAC

(4R,4aR,7S,7aR,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-10-yl]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile