(20alpha)-3,5,6,16,17-Pentadehydro-16-(Methoxycarbonyl)-19alpha-Methyl-18-Oxayohimban-4-Ium
[CAS# 47485-83-6]

Identification

• Name: (20alpha)-3,5,6,16,17-Pentadehydro-16-(Methoxycarbonyl)-19alpha-Methyl-18-Oxayohimban-4-Ium
• Synonyms: Nci60_041680
• Molecular Formula: C₂₁H₂₀N₂O₃
• Molecular Weight: 348.40
• CAS Registry Number: 47485-83-6
• SMILES: [C@@H]15C(=CO[C@H]([C@@H]1C[N]4C(=C3N=C2C=CC=CC2=C3C=C4)C5)C)C(=O)OC
• InChI: 1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16-/m0/s1
• InChIKey: WYTGDNHDOZPMIW-RCBQFDQVSA-N