Paspalicine
[CAS# 11024-55-8]

Identification

• Name: Paspalicine
• Synonyms: 4H-3,15A-Epoxy-1-Benzoxepino(6',7':6,7)Indeno(1,2-B)Indol-4-One, 2,3,5B,6,7,7A,8,13,13B,13C,14,15-Dodecahydro-2,2,13B,13C-Tetramethyl-, (3R-(3Alpha,5Balpha,7Abeta,13Balpha,13Cbeta,15Aalpha))-; Paspalicine
• Molecular Formula: C₂₇H₃₁NO₃
• Molecular Weight: 417.55
• CAS Registry Number: 11024-55-8
• SMILES: C2=C1C7=C([NH]C1=CC=C2)C6(C5(C(C3=CC(=O)C4OC3(OC4(C)C)CC5)CCC6C7)C)C
• InChI: 1S/C27H31NO3/c1-24(2)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,30-23)31-24/h5-8,14-15,18,23,28H,9-13H2,1-4H3
• InChIKey: HSFKQYJRJBEWKH-UHFFFAOYSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 584.929°C at 760 mmHg (Cal.)
• Flash point: 307.554°C (Cal.)