(E)-3-[1-[(E)-But-2-En-2-Yl]-10-Formyl-9-Hydroxy-3-Methoxy-4-Methyl-6-Oxobenzo[b][1,4]Benzodioxepin-7-Yl]But-2-Enoic Acid
[CAS# 133943-51-8]

Identification

• Name: (E)-3-[1-[(E)-But-2-En-2-Yl]-10-Formyl-9-Hydroxy-3-Methoxy-4-Methyl-6-Oxobenzo[b][1,4]Benzodioxepin-7-Yl]But-2-Enoic Acid
• Synonyms: (E)-3-[10-Formyl-9-Hydroxy-3-Methoxy-4-Methyl-1-[(E)-1-Methylprop-1-Enyl]-6-Oxo-Benzo[B][1,4]Benzodioxepin-7-Yl]But-2-Enoic Acid; (E)-3-[10-Formyl-9-Hydroxy-3-Methoxy-4-Methyl-1-[(E)-1-Methylprop-1-Enyl]-6-Oxo-7-Benzo[B][1,4]Benzodioxepinyl]But-2-Enoic Acid; (E)-3-[10-Formyl-9-Hydroxy-6-Keto-3-Methoxy-4-Methyl-1-[(E)-1-Methylprop-1-Enyl]Benzo[B][1,4]Benzodioxepin-7-Yl]But-2-Enoic Acid
• Molecular Formula: C₂₄H₂₂O₈
• Molecular Weight: 438.43
• CAS Registry Number: 133943-51-8
• SMILES: C3=C(O)C(=C2OC1=C(C=C(OC)C(=C1OC(=O)C2=C3C(=C/C(=O)O)/C)C)C(=C/C)/C)C=O
• InChI: 1S/C24H22O8/c1-6-11(2)15-9-18(30-5)13(4)21-23(15)31-22-16(10-25)17(26)8-14(12(3)7-19(27)28)20(22)24(29)32-21/h6-10,26H,1-5H3,(H,27,28)/b11-6+,12-7+
• InChIKey: OEOPAPDNSRVRHC-GNXRPPCSSA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Boiling point: 696.65°C at 760 mmHg (Cal.)
• Flash point: 241.076°C (Cal.)