Certified Reference Material of Hydrastine

Analyte Name

Hydrastine

CAS Number

29617-43-4

Molecular Formula

C21 H21 N O6

Molecular Weight

383.39

Measured Value

99.3 %

Accurate Mass

383.1369

SMILES

COc1ccc2[C@@H](OC(=O)c2c1OC)[C@H]3N(C)CCc4cc5OCOc5cc34

InChI

InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1

IUPAC

(3R)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one

Country of Origin

CANADA