(3beta,20alpha)-11,17alpha-Dimethoxy-18beta-[(Tetrahydro-2H-Pyran-2-Yl)Oxy]Yohimban-16beta-Carboxylic Acid Methyl Ester
[CAS# 751-73-5]

Identification

• Name: (3beta,20alpha)-11,17alpha-Dimethoxy-18beta-[(Tetrahydro-2H-Pyran-2-Yl)Oxy]Yohimban-16beta-Carboxylic Acid Methyl Ester
• Synonyms: 3.Beta.,20.Alpha.-Yohimban-16.Beta.-Carboxylic Acid, 11.Alpha.,17.Alpha.-Dimethoxy-18.Beta.-(Tetrahydro-2-Pyranyloxy)-, Methyl Ester; 3.Beta.,20.Alpha.-Yohimban-16.Beta.-Carboxylic Acid, 18.Beta.-[(Tetrahydro-2H-Pyran-2-Yl)Oxy]-11,17.Alpha.-Dimethoxy-, Methyl Ester; Methyl (Tetrahydro-2-Pyranyl)Reserpate
• Molecular Formula: C₂₈H₃₈N₂O₆
• Molecular Weight: 498.62
• CAS Registry Number: 751-73-5
• SMILES: C1=CC2=C(C=C1OC)[NH]C3=C2CCN4C3CC5C(C4)CC(C(C5C(=O)OC)OC)OC6CCCCO6
• InChI: 1S/C28H38N2O6/c1-32-17-7-8-18-19-9-10-30-15-16-12-23(36-24-6-4-5-11-35-24)27(33-2)25(28(31)34-3)20(16)14-22(30)26(19)29-21(18)13-17/h7-8,13,16,20,22-25,27,29H,4-6,9-12,14-15H2,1-3H3
• InChIKey: VTHDACIJKLUNPX-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 638.874°C at 760 mmHg (Cal.)
• Flash point: 340.179°C (Cal.)