(1S,3S)-1-[[4-羟基-3-[4-[(7-羟基-6-甲氧基-1,2,3,4-四氢异喹啉-1-基)甲基]苯氧基]苯基]甲基]-6-甲氧基-2-甲基-3,4-二氢-1H-异喹啉-3-醇
[CAS# 120091-14-7]

基本信息

• 产品名称: (1S,3S)-1-[[4-羟基-3-[4-[(7-羟基-6-甲氧基-1,2,3,4-四氢异喹啉-1-基)甲基]苯氧基]苯基]甲基]-6-甲氧基-2-甲基-3,4-二氢-1H-异喹啉-3-醇
• 英文名: (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
• 别名: (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
• 分子式: C₃₅H₃₈N₂O₆
• 分子量: 582.70
• CAS 登录号: 120091-14-7
• 分子行输入简码 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
• 国际化学标识码 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
• 国际化学标识检索码 InChIKey: GREGWBBWKKBCEU-PWXALIIZSA-N

物理化学性质

• 密度: 1.269g/cm³ （计算值）
• 沸点: 753.681°C at 760 mmHg （计算值）
• 闪点: 409.612°C （计算值）