(20a)-3,5,6,16,17-Pentadehydro-10,11-Dimethoxy-16-(Methoxycarbonyl)-19a-Methyl-18-Oxayohimban-4-Ium
[CAS# 41758-43-4]

Identification

• Name: (20a)-3,5,6,16,17-Pentadehydro-10,11-Dimethoxy-16-(Methoxycarbonyl)-19a-Methyl-18-Oxayohimban-4-Ium
• Synonyms: C09046
• Molecular Formula: C₂₃H₂₄N₂O₅
• Molecular Weight: 408.45
• CAS Registry Number: 41758-43-4
• SMILES: [N-]2C1=C5[N+](=CC=C1C3=C2C=C(OC)C(=C3)OC)C[C@@H]4[C@@H](C(=CO[C@H]4C)C(=O)OC)C5
• InChI: 1S/C23H24N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h5-6,8-9,11-12,14,16H,7,10H2,1-4H3/t12-,14-,16-/m0/s1
• InChIKey: TWZUULCDVYYPNU-NOLJZWGESA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 636.842°C at 760 mmHg (Cal.)
• Flash point: 338.95°C (Cal.)