Aspidospermine
[CAS# 466-49-9]

Identification

• Name: Aspidospermine
• Synonyms: Nsc61811; Aids-002663; Aids002663
• Molecular Formula: C₂₂H₃₀N₂O₂
• Molecular Weight: 354.49
• CAS Registry Number: 466-49-9
• EINECS: 207-376-7
• SMILES: [C@]125[C@H]4[C@@](CC[C@H]1N(C(C)=O)C3=C2C=CC=C3OC)(CCCN4CC5)CC
• InChI: 1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/t18-,20-,21-,22-/m1/s1
• InChIKey: ARQOGCYMPUOVHK-ZHHKINOHSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 542.8±50.0°C at 760 mmHg (Cal.)
• Flash point: 282.1±30.1°C (Cal.)

References

• (1): Jared T. Shaw. Naturally diverse: highlights in versatile synthetic methods enabling target- and diversity-oriented synthesis, Nat. Prod. Rep., 2009, 26, 11.