Paspalinine
[CAS# 63722-91-8]

Identification

• Name: Paspalinine
• 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-5B-Hydroxy-2,2,13B,13C-Tetramethyl-2,3,5B,6,7,7A,8,13,13B,13C,14,15-Dodecahydro-5B-Hydroxy-2,2,13B,13C-Tetramethyl-, (3R,5Bs,7As,13Bs,13Cr,15As)-; Paspalinine
• Molecular Formula: C₂₇H₃₁NO₄
• Molecular Weight: 433.55
• CAS Registry Number: 63722-91-8
• SMILES: C7=C6C5=C(C4(C3(C(C1=CC(C2OC1(OC2(C)C)CC3)=O)(CCC4C5)O)C)C)[NH]C6=CC=C7
• InChI: 1S/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3
• InChIKey: BPTIXFRJAOKMRK-UHFFFAOYSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 631.843°C at 760 mmHg (Cal.)
• Flash point: 335.927°C (Cal.)