(3S)-6,7-Dimethoxy-3-[(5S)-6-Methyl-5,6,7,8-Tetrahydro[1,3]Dioxolo[4,5-g]Isoquinolin-5-Yl]-2-Benzofuran-1(3H)-One
[CAS# 29617-43-4]

Identification

• Name: (3S)-6,7-Dimethoxy-3-[(5S)-6-Methyl-5,6,7,8-Tetrahydro[1,3]Dioxolo[4,5-g]Isoquinolin-5-Yl]-2-Benzofuran-1(3H)-One
• Synonyms: 1S,9R-HYDRASTINE; HYDRASTINE (1S,9R); KBio2_002529
• Molecular Formula: C₂₁H₂₁NO₆
• Molecular Weight: 383.39
• CAS Registry Number: 29617-43-4
• SMILES: O=C2O[C@@H](c1ccc(OC)c(OC)c12)[C@H]5N(C)CCc4c5cc3OCOc3c4
• 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
• InChIKey: JZUTXVTYJDCMDU-OALUTQOASA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 548.798°C at 760 mmHg (Cal.)
• Flash point: 285.703°C (Cal.)
• Refractive index: 1.614 (Cal.)