Tabernanthine
[CAS# 83-94-3]

Identification

• Name: Tabernanthine
• Synonyms: Tabernanthine
• Molecular Formula: C₂₀H₂₆N₂O
• Molecular Weight: 310.44
• CAS Registry Number: 83-94-3
• SMILES: [C@@H]15N2C[C@H](C[C@H]1C3=C(CC2)C4=C([NH]3)C=C(OC)C=C4)C[C@@H]5CC
• InChI: 1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1
• InChIKey: UCIDWKVIQZIKEK-NXWOVTFFSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 484.165°C at 760 mmHg (Cal.)
• Flash point: 246.614°C (Cal.)