Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-Hydroxy-11,17-Dimethoxyyohimban-16-Carboxylate
[CAS# 2901-66-8]

Identification

• Name: Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-Hydroxy-11,17-Dimethoxyyohimban-16-Carboxylate
• Synonyms: 3.Beta.,20.Alpha.-Yohimban-16.Beta.-Carboxylic Acid, 18.Beta.-Hydroxy-11,17.Alpha.-Dimethoxy-, Methyl Ester; Methyl Reserpate; Methyl Reserpinolate
• Molecular Formula: C₂₃H₃₀N₂O₅
• Molecular Weight: 414.50
• CAS Registry Number: 2901-66-8
• EINECS: 220-792-3
• SMILES: C2=C1[NH]C3=C(C1=CC=C2OC)CCN5C3CC4C(C(C(O)CC4C5)OC)C(=O)OC
• InChI: 1S/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3
• InChIKey: MDJQWFFIUHUJSB-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 587.752°C at 760 mmHg (Cal.)
• Flash point: 309.261°C (Cal.)