(E)-3-[1-[(E)-But-2-En-2-Yl]-9-Hydroxy-10-(Hydroxymethyl)-3-Methoxy-4-Methyl-6-Oxobenzo[c][1,5]Benzodioxepin-7-Yl]But-2-Enoic Acid
[CAS# 133943-50-7]

Identification

• Name: (E)-3-[1-[(E)-But-2-En-2-Yl]-9-Hydroxy-10-(Hydroxymethyl)-3-Methoxy-4-Methyl-6-Oxobenzo[c][1,5]Benzodioxepin-7-Yl]But-2-Enoic Acid
• Synonyms: (E)-3-[9-Hydroxy-10-(Hydroxymethyl)-3-Methoxy-4-Methyl-1-[(E)-1-Methylprop-1-Enyl]-6-Oxo-Benzo[C][1,5]Benzodioxepin-7-Yl]But-2-Enoic Acid; (E)-3-[9-Hydroxy-10-(Hydroxymethyl)-3-Methoxy-4-Methyl-1-[(E)-1-Methylprop-1-Enyl]-6-Oxo-7-Benzo[C][1,5]Benzodioxepinyl]But-2-Enoic Acid; (E)-3-[9-Hydroxy-6-Keto-3-Methoxy-4-Methyl-10-Methylol-1-[(E)-1-Methylprop-1-Enyl]Benzo[C][1,5]Benzodioxepin-7-Yl]But-2-Enoic Acid
• Molecular Formula: C₂₄H₂₄O₈
• Molecular Weight: 440.45
• CAS Registry Number: 133943-50-7
• 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)CO
• InChI: 1S/C24H24O8/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/h6-9,25-26H,10H2,1-5H3,(H,27,28)/b11-6+,12-7+
• InChIKey: NTOXIMPFEPXTTB-GNXRPPCSSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 677.434°C at 760 mmHg (Cal.)
• Flash point: 232.991°C (Cal.)