10,11-Dimethoxy-19-methyl-16,17-didehydrooxayohimban-16-carboxylic acid methyl ester
[CAS# 3148-42-3]

Identification

• Name: 10,11-Dimethoxy-19-methyl-16,17-didehydrooxayohimban-16-carboxylic acid methyl ester
• Synonyms: Oxayohimban-16-Carboxylic Acid, 16,17-Didehydro-10,11-Dimethoxy-19-Methyl-, Methyl Ester; Rauvanin; Rauvanine
• Molecular Formula: C₂₃H₂₈N₂O₅
• Molecular Weight: 412.48
• CAS Registry Number: 3148-42-3
• SMILES: [C@@H]45[C@H](CN3[C@H](C2=C(C1=CC(=C(OC)C=C1[NH]2)OC)CC3)C4)[C@H](OC=C5C(OC)=O)C
• InChI: 1S/C23H28N2O5/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/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3/t12-,14+,16-,19+/m1/s1
• InChIKey: FGWJRZQNNZVCHR-FERZIJSQSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 569.855°C at 760 mmHg (Cal.)
• Flash point: 298.438°C (Cal.)