Nicocodine (1.0 mg/mL in Acetonitrile)

Analyte Name

Nicocodine

CAS Number

3688-66-2

Molecular Formula

C24 H24 N2 O4

Molecular Weight

404.458

Accurate Mass

404.174

SMILES

COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OC(=O)c5cccnc5)[C@@H]6Oc1c2[C@]46CCN3C

InChI

InChI=1S/C24H24N2O4/c1-26-11-9-24-16-6-8-19(29-23(27)15-4-3-10-25-13-15)22(24)30-21-18(28-2)7-5-14(20(21)24)12-17(16)26/h3-8,10,13,16-17,19,22H,9,11-12H2,1-2H3/t16-,17+,19-,22-,24-/m0/s1

IUPAC

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

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile