Voacorine
[CAS# 5130-80-3]

Identification

• Name: Voacorine
• Synonyms: Nsc288656; Epivoacorine B811157k089; Ibogamine-18-Carboxylic Acid, 20-Hydroxy-12-Methoxy-13-[(3.Alpha.)-17-Methoxy-17-Oxovobasan-3-Yl]-, Methyl Ester, (20S)-
• Molecular Formula: C₄₃H₅₂N₄O₆
• Molecular Weight: 720.91
• CAS Registry Number: 5130-80-3
• SMILES: C5=C4C3=C(C1(C(OC)=O)C2N(CC(C1)CC2C(C)O)CC3)[NH]C4=CC(=C5OC)C8C7=C(C6=CC=CC=C6[NH]7)CC9N(C)C\C(C(C8)C9C(OC)=O)=C\C
• InChI: 1S/C43H52N4O6/c1-7-24-21-46(3)35-17-32-25-10-8-9-11-33(25)44-38(32)31(15-28(24)37(35)41(49)52-5)30-16-34-29(18-36(30)51-4)26-12-13-47-20-23-14-27(22(2)48)40(47)43(19-23,39(26)45-34)42(50)53-6/h7-11,16,18,22-23,27-28,31,35,37,40,44-45,48H,12-15,17,19-21H2,1-6H3/b24-7-
• InChIKey: UIEKMUULTFWIHX-VAPIAZESSA-N

Properties

• Density: 1.345g/cm³ (Cal.)