12-((3alpha)-17-Methoxy-17-Oxovobasan-3- Yl)-Ibogamine-18-Carboxylic Acid Methyl Ester
[CAS# 80981-94-8]

Identification

• Name: 12-((3alpha)-17-Methoxy-17-Oxovobasan-3- Yl)-Ibogamine-18-Carboxylic Acid Methyl Ester
• Molecular Formula: C₄₂H₅₀N₄O₄
• Molecular Weight: 674.88
• CAS Registry Number: 80981-94-8
• SMILES: C2=C1C9=C([NH]C1=CC=C2C6C4=C(C3=CC=CC=C3[NH]4)CC5N(C\C(C(C5C(OC)=O)C6)=C\C)C)C7(C8N(CC(C7)CC8CC)CC9)C(OC)=O
• InChI: 1S/C42H50N4O4/c1-6-24-16-23-20-42(41(48)50-5)38-28(14-15-46(21-23)39(24)42)31-17-26(12-13-34(31)44-38)30-18-29-25(7-2)22-45(3)35(36(29)40(47)49-4)19-32-27-10-8-9-11-33(27)43-37(30)32/h7-13,17,23-24,29-30,35-36,39,43-44H,6,14-16,18-22H2,1-5H3/b25-7-
• InChIKey: CGVRBBCFDQVSEW-ONAMSPKSSA-N

Properties

• Density: 1.306g/cm³ (Cal.)