(2R,5R)-6,7-Didehydroaspidofractinine-3beta-Carboxylic Acid Methyl Ester
[CAS# 5001-20-7]

Identification

• Name: (2R,5R)-6,7-Didehydroaspidofractinine-3beta-Carboxylic Acid Methyl Ester
• Synonyms: Nsc180520; Venalstonine
• Molecular Formula: C₂₁H₂₄N₂O₂
• Molecular Weight: 336.43
• CAS Registry Number: 5001-20-7
• SMILES: C1=CC=CC2=C1C34C6(N2)C(CC5(C3N(CC4)CC=C5)CC6)C(OC)=O
• InChI: 1S/C21H24N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-7,15,18,22H,8-13H2,1H3
• InChIKey: ZHVZVHMDHAWEBG-UHFFFAOYSA-N

Properties

• Density: 1.325g/cm³ (Cal.)
• Boiling point: 508.168°C at 760 mmHg (Cal.)
• Flash point: 261.131°C (Cal.)