Dibromoreserpine
[CAS# 84057-90-9]

Identification

• Name: Dibromoreserpine
• Synonyms: Yohimban-16-Carboxylic Acid, Dibromo-11,17-Dimethoxy-18-((3,4,5-Trimethoxybenzoyl)Oxy)-, Methyl Ester, (3Beta,16Beta,17Alpha,18Beta,20Alpha)-
• Molecular Formula: C₃₃H₃₈Br₂N₂O₉
• Molecular Weight: 766.48
• CAS Registry Number: 84057-90-9
• SMILES: [C@@H]13C5=C(CC(N1C[C@H]2C[C@H]([C@@H]([C@H]([C@H]2C3)C(=O)OC)OC)OC(C4=CC(=C(C(=C4)OC)OC)OC)=O)Br)C6=C([N]5Br)C=C(C=C6)OC
• InChI: 1S/C33H38Br2N2O9/c1-40-18-7-8-19-21-14-27(34)36-15-17-11-26(46-32(38)16-9-24(41-2)30(43-4)25(10-16)42-3)31(44-5)28(33(39)45-6)20(17)13-23(36)29(21)37(35)22(19)12-18/h7-10,12,17,20,23,26-28,31H,11,13-15H2,1-6H3/t17-,20+,23-,26-,27?,28+,31+/m1/s1
• InChIKey: VHGVJZAKMWEORI-HJACPHKOSA-N

Properties

• Density: 1.62g/cm³ (Cal.)
• Boiling point: 747.946°C at 760 mmHg (Cal.)
• Flash point: 406.143°C (Cal.)