Spegazzinine
[CAS# 6882-72-0]

Identification

• Name: Spegazzinine
• Synonyms: Spegazzinine
• Molecular Formula: C₂₁H₂₈N₂O₃
• Molecular Weight: 356.46
• CAS Registry Number: 6882-72-0
• SMILES: [C@]135[C@H](N(C(=O)C)C2=C(O)C=CC=C12)[C@H](C[C@@]4([C@H]3N(CCC4)CC5)CC)O
• InChI: 1S/C21H28N2O3/c1-3-20-8-5-10-22-11-9-21(19(20)22)14-6-4-7-15(25)17(14)23(13(2)24)18(21)16(26)12-20/h4,6-7,16,18-19,25-26H,3,5,8-12H2,1-2H3/t16-,18+,19+,20+,21+/m0/s1
• InChIKey: RQFIKBUKOZJEMU-OUJGAGHGSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 586.294°C at 760 mmHg (Cal.)
• Flash point: 308.38°C (Cal.)

References

• (1): Lajiness James P., Jiang Wanlong, Boger Dale L.. Divergent Total Syntheses of (−)-Aspidospermine and (+)-Spegazzinine, Organic Letters, 2012