14-((3alpha)-17-Methoxy-17-Oxovobasan-3- Yl)-Ibogamine-18-Carboxylic Acid Methyl Ester
[CAS# 80981-95-9]

Identification

• Name: 14-((3alpha)-17-Methoxy-17-Oxovobasan-3- Yl)-Ibogamine-18-Carboxylic Acid Methyl Ester
• Molecular Formula: C₄₂H₅₀N₄O₄
• Molecular Weight: 674.88
• CAS Registry Number: 80981-95-9
• SMILES: C6=C1C9=C([NH]C1=C(C4C3=C(C2=CC=CC=C2[NH]3)CC5N(C\C(C(C4)C5C(OC)=O)=C\C)C)C=C6)C7(C8N(CC(C7)CC8CC)CC9)C(OC)=O
• InChI: 1S/C42H50N4O4/c1-6-24-17-23-20-42(41(48)50-5)38-29(15-16-46(21-23)39(24)42)27-12-10-13-28(36(27)44-38)31-18-30-25(7-2)22-45(3)34(35(30)40(47)49-4)19-32-26-11-8-9-14-33(26)43-37(31)32/h7-14,23-24,30-31,34-35,39,43-44H,6,15-22H2,1-5H3/b25-7-
• InChIKey: JSVJVPGYVMTAAH-ONAMSPKSSA-N

Properties

• Density: 1.306g/cm³ (Cal.)