(3aR,4S,5aR,9aR,9bR)-4-Hydroxy-3,9-dimethylene-5a-vinyl-3a,4,5,6,9a,9b-hexahydropyrano[5,4-g]benzofuran-2,8-quinone
[CAS# 18542-37-5]

Identification

• Name: (3aR,4S,5aR,9aR,9bR)-4-Hydroxy-3,9-dimethylene-5a-vinyl-3a,4,5,6,9a,9b-hexahydropyrano[5,4-g]benzofuran-2,8-quinone
• Synonyms: (3Ar,4S,5Ar,9Ar,9Br)-4-Hydroxy-3,9-Dimethylene-5A-Vinyl-3A,4,5,6,9A,9B-Hexahydropyrano[5,4-G]Benzofuran-2,8-Dione; (3Ar,4S,5Ar,9Ar,9Br)-4-Hydroxy-3,9-Dimethylene-5A-Vinyl-3A,4,5,6,9A,9B-Hexahydropyrano[5,4-G]Benzofuran-2,8-Quinone; C09582
• Molecular Formula: C₁₅H₁₆O₅
• Molecular Weight: 276.29
• CAS Registry Number: 18542-37-5
• SMILES: [C@@H]12[C@H](C(=C)C(O1)=O)[C@H](C[C@]3([C@@H]2C(C(OC3)=O)=C)C=C)O
• InChI: 1S/C15H16O5/c1-4-15-5-9(16)10-7(2)14(18)20-12(10)11(15)8(3)13(17)19-6-15/h4,9-12,16H,1-3,5-6H2/t9-,10+,11+,12-,15+/m0/s1
• InChIKey: IFYQXAXVZGMFNW-MVIRXUPPSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 535.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 205.5±23.6°C (Cal.)