(4Z)-3-(3,4-Dihydroxyphenyl)-6-[(E)-2-(3,4-Dihydroxyphenyl)Ethenyl]-1-Hydroxy-4-(2-Oxopropylidene)-3,3alpha-Dihydrofuro[4,3-e]Oxepin-8-One
[CAS# 133360-41-5]

Identification

• Name: (4Z)-3-(3,4-Dihydroxyphenyl)-6-[(E)-2-(3,4-Dihydroxyphenyl)Ethenyl]-1-Hydroxy-4-(2-Oxopropylidene)-3,3alpha-Dihydrofuro[4,3-e]Oxepin-8-One
• Synonyms: (4Z)-4-Acetonylidene-3-(3,4-Dihydroxyphenyl)-6-[(E)-2-(3,4-Dihydroxyphenyl)Vinyl]-1-Hydroxy-3,3A-Dihydrofuro[4,3-E]Oxepin-8-One; 1H,3H-Furo(3,4-C)Oxepin-1-One, 3-(3,4-Dihydroxyphenyl)-6-(2-(3,4-Dihydroxyphenyl)Ethenyl)-3A,4-Dihydro-8-Hydroxy-4-(2-Oxopropylidene)-; Davallialactone
• Molecular Formula: C₂₅H₂₀O₉
• Molecular Weight: 464.43
• CAS Registry Number: 133360-41-5
• SMILES: C4=C(C1OC(=C2C1C(/OC(=CC2=O)\C=C\C3=CC(=C(O)C=C3)O)=C/C(=O)C)O)C=CC(=C4O)O
• InChI: 1S/C25H20O9/c1-12(26)8-21-23-22(25(32)34-24(23)14-4-7-17(28)19(30)10-14)20(31)11-15(33-21)5-2-13-3-6-16(27)18(29)9-13/h2-11,23-24,27-30,32H,1H3/b5-2+,21-8-
• InChIKey: RXDTXIQVSFWJHG-JSZABBEQSA-N

Properties

• Density: 1.607g/cm³ (Cal.)
• Boiling point: 791.788°C at 760 mmHg (Cal.)
• Flash point: 274.746°C (Cal.)