Phaseolinone
[CAS# 85431-61-4]

Identification

• Name: Phaseolinone
• Synonyms: Naphth(1,2-B)Oxiren-2(1Ah)-One, 4,5,6,7,7A,7B-Hexahydro-6-Hydroxy-1A-((2R)-2-(Hydroxymethyl)Oxiranyl)-7,7A-Dimethyl-, (1As,6R,7R,7Ar,7Br)-
• Molecular Formula: C₁₅H₂₀O₅
• Molecular Weight: 280.32
• CAS Registry Number: 85431-61-4
• SMILES: [C@]23([C@@H]([C@@]1([C@H]([C@H](O)CCC1=CC2=O)C)C)O3)[C@@]4(OC4)CO
• InChI: 1S/C15H20O5/c1-8-10(17)4-3-9-5-11(18)15(14(6-16)7-19-14)12(20-15)13(8,9)2/h5,8,10,12,16-17H,3-4,6-7H2,1-2H3/t8-,10+,12+,13+,14+,15-/m0/s1
• InChIKey: DDKJQSAECJSUNP-OCZRQZLOSA-N

Properties

• Density: 1.392g/cm³ (Cal.)
• Boiling point: 471.262°C at 760 mmHg (Cal.)
• Flash point: 178.214°C (Cal.)