(1S,3S)-1-[[4-Hydroxy-3-[4-[(7-Hydroxy-6-Methoxy-1,2,3,4-Tetrahydroisoquinolin-1-Yl)Methyl]Phenoxy]Phenyl]Methyl]-6-Methoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-3-Ol
[CAS# 120091-14-7]

Identification

• Name: (1S,3S)-1-[[4-Hydroxy-3-[4-[(7-Hydroxy-6-Methoxy-1,2,3,4-Tetrahydroisoquinolin-1-Yl)Methyl]Phenoxy]Phenyl]Methyl]-6-Methoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-3-Ol
• Synonyms: (1S,3S)-1-[4-Hydroxy-3-[4-[(7-Hydroxy-6-Methoxy-1,2,3,4-Tetrahydroisoquinolin-1-Yl)Methyl]Phenoxy]Benzyl]-6-Methoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-3-Ol; 7-Isoquinolinol, 1,2,3,4-Tetrahydro-1-((4-Hydroxy-3-(4-((1,2,3,4-Tetrahydro-7-Hydroxy-6-Methoxy-1-Isoquinolinyl)Methyl)Phenoxy)Phenyl)Methyl)-6-Methoxy-2-Methyl-, (S-(R*,R*))-; Demethylnorthalibrine
• Molecular Formula: C₃₅H₃₈N₂O₆
• Molecular Weight: 582.70
• CAS Registry Number: 120091-14-7
• SMILES: [C@H]1(N([C@@H](O)CC2=C1C=CC(=C2)OC)C)CC3=CC=C(O)C(=C3)OC6=CC=C(CC4NCCC5=C4C=C(O)C(=C5)OC)C=C6
• InChI: 1S/C35H38N2O6/c1-37-30(27-10-9-26(41-2)17-24(27)19-35(37)40)15-22-6-11-31(38)34(16-22)43-25-7-4-21(5-8-25)14-29-28-20-32(39)33(42-3)18-23(28)12-13-36-29/h4-11,16-18,20,29-30,35-36,38-40H,12-15,19H2,1-3H3/t29?,30-,35-/m0/s1
• InChIKey: GREGWBBWKKBCEU-PWXALIIZSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 753.681°C at 760 mmHg (Cal.)
• Flash point: 409.612°C (Cal.)