Analyte Name

6-Isocodeine Benzoate

CAS Number

135091-14-4

Molecular Formula

C25H25NO4

Molecular Weight

403.47

Accurate Mass

403.18

SMILES

[H][C@]1([C@H](OC(C2=CC=CC=C2)=O)C=C3)[C@@]4([C@]3([H])[C@H](N(CC4)C)C5)C6=C5C=CC(OC)=C6O1

InChI

InChI=1S/C25H25NO4/c1-26-13-12-25-17-9-11-20(29-24(27)15-6-4-3-5-7-15)23(25)30-22-19(28-2)10-8-16(21(22)25)14-18(17)26/h3-11,17-18,20,23H,12-14H2,1-2H3/t17-,18+,20+,23-,25-/m0/s1

IUPAC

(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl benzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat