Bromoreserpine
[CAS# 84057-91-0]

Identification

• Name: Bromoreserpine
• Synonyms: Yohimban-16-Carboxylic Acid, Bromo-11,17-Dimethoxy-18-((3,4,5-Trimethoxybenzoyl)Oxy)-, Methyl Ester, (3Beta,16Beta,17Alpha,18Beta,20Alpha)-
• Molecular Formula: C₃₃H₃₉BrN₂O₉
• Molecular Weight: 687.58
• CAS Registry Number: 84057-91-0
• SMILES: [C@@H]13C5=C(CCN1C[C@H]2C[C@H]([C@@H]([C@H]([C@H]2C3)C(=O)OBr)OC)OC(C4=CC(=C(C(=C4)OC)OC)OC)=O)C6=C([N]5C)C=C(C=C6)OC
• InChI: 1S/C33H39BrN2O9/c1-35-23-14-19(39-2)7-8-20(23)21-9-10-36-16-18-13-27(31(43-6)28(33(38)45-34)22(18)15-24(36)29(21)35)44-32(37)17-11-25(40-3)30(42-5)26(12-17)41-4/h7-8,11-12,14,18,22,24,27-28,31H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
• InChIKey: HETZMPQLMVFFBX-MDEJGZGSSA-N

Properties

• Density: 1.493g/cm³ (Cal.)
• Boiling point: 729.975°C at 760 mmHg (Cal.)
• Flash point: 395.275°C (Cal.)