13-Methoxy-14-[(3a)-17-methoxy-17-oxovobasan-3-yl]-Ibogamine-18-carboxylic acid methyl ester
[CAS# 2665-57-8]

Identification

• Name: 13-Methoxy-14-[(3a)-17-methoxy-17-oxovobasan-3-yl]-Ibogamine-18-carboxylic acid methyl ester
• Synonyms: Ibogamine-18-Carboxylic Acid, 13-Methoxy-14-[(3.Alpha.)-17-Methoxy-17-Oxovobasan-3-Yl]-, Methyl Ester; Nsc289066; Conodurine B640243k102
• Molecular Formula: C₄₃H₅₂N₄O₅
• Molecular Weight: 704.91
• CAS Registry Number: 2665-57-8
• SMILES: C5=C4C3=C(C1(C(OC)=O)C2N(CC(C1)CC2CC)CC3)[NH]C4=C(C(=C5)OC)C8C7=C(C6=CC=CC=C6[NH]7)CC9N(C)C\C(C(C8)C9C(OC)=O)=C/C
• InChI: 1S/C43H52N4O5/c1-7-24-17-23-20-43(42(49)52-6)39-28(15-16-47(21-23)40(24)43)27-13-14-34(50-4)36(38(27)45-39)31-18-29-25(8-2)22-46(3)33(35(29)41(48)51-5)19-30-26-11-9-10-12-32(26)44-37(30)31/h8-14,23-24,29,31,33,35,40,44-45H,7,15-22H2,1-6H3/b25-8+
• InChIKey: QJHYXWBJZHUJGS-ZNLRHDTNSA-N

Properties

• Density: 1.309g/cm³ (Cal.)