10alpha-Hydroxycodeine (1mg/ml in Acetonitrile)

Analyte Name

10alpha-Hydroxycodeine

CAS Number

16589-96-1

Molecular Formula

C18 H21 N O4

Molecular Weight

315.36

Measured Value

1 mg/mL

Accurate Mass

315.1471

SMILES

COc1ccc2[C@H](O)[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C

InChI

InChI=1S/C18H21NO4/c1-19-8-7-18-10-4-5-11(20)17(18)23-16-12(22-2)6-3-9(13(16)18)15(21)14(10)19/h3-6,10-11,14-15,17,20-21H,7-8H2,1-2H3/t10-,11-,14-,15-,17-,18-/m0/s1

IUPAC

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

Alternate CAS Number

1777-89-5 rac

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile