(7R,9aS)-1,2,3,8,9,9a-Hexahydro-6-Hydroxy-3',5-Dimethoxy-1-Methylspiro[7H-Benzo[de]Quinoline-7,1'-[2,5]Cyclohexadien]-4'-One
[CAS# 17441-87-1]

Identification

• Name: (7R,9aS)-1,2,3,8,9,9a-Hexahydro-6-Hydroxy-3',5-Dimethoxy-1-Methylspiro[7H-Benzo[de]Quinoline-7,1'-[2,5]Cyclohexadien]-4'-One
• Synonyms: Kreysiginone
• Molecular Formula: C₂₀H₂₃NO₄
• Molecular Weight: 341.41
• CAS Registry Number: 17441-87-1
• SMILES: C4=C3C2=C(C1(C=C(OC)C(C=C1)=O)CCC2N(CC3)C)C(=C4OC)O
• InChI: 1S/C20H23NO4/c1-21-9-6-12-10-15(24-2)19(23)18-17(12)13(21)4-7-20(18)8-5-14(22)16(11-20)25-3/h5,8,10-11,13,23H,4,6-7,9H2,1-3H3
• InChIKey: MVSOEABWRCVGSX-UHFFFAOYSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 529.524°C at 760 mmHg (Cal.)
• Flash point: 274.047°C (Cal.)