13-Methoxy-12-[(3a)-17-methoxy-17-oxovobasan-3-yl]-ibogamine-18-carboxylic acid methyl ester
[CAS# 2580-82-7]

Identification

• Name: 13-Methoxy-12-[(3a)-17-methoxy-17-oxovobasan-3-yl]-ibogamine-18-carboxylic acid methyl ester
• Synonyms: B640928k226; Conoduramine B640243k155
• Molecular Formula: C₄₃H₅₂N₄O₅
• Molecular Weight: 704.91
• CAS Registry Number: 2580-82-7
• SMILES: C5=C4C3=C(C1(C(OC)=O)C2N(CC(C1)CC2CC)CC3)[NH]C4=CC(=C5C8C7=C(C6=CC=CC=C6[NH]7)CC9N(C)C\C(C(C8)C9C(OC)=O)=C\C)OC
• InChI: 1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-17-30(36(50-4)19-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-
• InChIKey: IJKBITBRKHUQJS-JAHAZDFLSA-N

Properties

• Density: 1.309g/cm³ (Cal.)