Abruquinone A
[CAS# 71593-10-7]

Identification

• Name: Abruquinone A
• Synonyms: 5-[(3S)-6,7-Dimethoxychroman-3-Yl]-2,3-Dimethoxy-1,4-Benzoquinone; 5-[(3S)-6,7-Dimethoxy-3-Chromanyl]-2,3-Dimethoxy-1,4-Benzoquinone; 5-[(3S)-6,7-Dimethoxychroman-3-Yl]-2,3-Dimethoxy-P-Benzoquinone
• Molecular Formula: C₁₉H₂₀O₇
• Molecular Weight: 360.36
• CAS Registry Number: 71593-10-7
• SMILES: [C@@H]3(C1=CC(C(=C(C1=O)OC)OC)=O)CC2=CC(=C(C=C2OC3)OC)OC
• InChI: 1S/C19H20O7/c1-22-15-6-10-5-11(9-26-14(10)8-16(15)23-2)12-7-13(20)18(24-3)19(25-4)17(12)21/h6-8,11H,5,9H2,1-4H3/t11-/m1/s1
• InChIKey: ILLAZKQERSVUDX-LLVKDONJSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 531.216°C at 760 mmHg (Cal.)
• Flash point: 234.016°C (Cal.)