(4a,20S)-20-Hydroxyibogamine-18-Carboxylic Acid Methyl Ester
[CAS# 4865-78-5]

Identification

• Name: (4a,20S)-20-Hydroxyibogamine-18-Carboxylic Acid Methyl Ester
• Synonyms: Heyneanine B668619k434; Nsc306218
• Molecular Formula: C₂₁H₂₆N₂O₃
• Molecular Weight: 354.45
• CAS Registry Number: 4865-78-5
• SMILES: C1=CC=CC5=C1C2=C(C3(C4N(CC2)CC(C3)CC4C(O)C)C(=O)OC)[NH]5
• InChI: 1S/C21H26N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,12-13,16,19,22,24H,7-11H2,1-2H3
• InChIKey: VGDQBNXQAOYMPS-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 513.506°C at 760 mmHg (Cal.)
• Flash point: 264.359°C (Cal.)