(1beta)-6,6',7'-Trimethoxy-2,2'-dimethyltubocuraran-12'-ol
[CAS# 31944-97-5]

Identification

• Name: (1beta)-6,6',7'-Trimethoxy-2,2'-dimethyltubocuraran-12'-ol
• Molecular Formula: C₃₇H₄₀N₂O₆
• Molecular Weight: 608.72
• CAS Registry Number: 31944-97-5
• SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5OC)OC)C)OC
• InChI: 1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(42-4)36(37)43-5)13-15-39(2)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m1/s1
• InChIKey: DGAIZFTYTKDOEN-FQLXRVMXSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 707.0±60.0°C at 760 mmHg (Cal.)
• Flash point: 381.4±32.9°C (Cal.)