3,9-Dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methylbut-2-enoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
[CAS# 68436-82-8]

Identification

• Name: 3,9-Dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methylbut-2-enoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
• Synonyms: 4,9-Dihydroxy-3-Methoxy-1,7-Dimethyl-2-(3-Methylbut-2-Enoyl)-6-Oxo-Benzo[B][1,4]Benzodioxepine-10-Carbaldehyde; 4,9-Dihydroxy-3-Methoxy-1,7-Dimethyl-2-(3-Methyl-1-Oxobut-2-Enyl)-6-Oxo-10-Benzo[B][1,4]Benzodioxepinecarboxaldehyde; 4,9-Dihydroxy-6-Keto-3-Methoxy-1,7-Dimethyl-2-(3-Methylbut-2-Enoyl)Benzo[B][1,4]Benzodioxepine-10-Carbaldehyde
• Molecular Formula: C₂₂H₂₀O₈
• Molecular Weight: 412.40
• CAS Registry Number: 68436-82-8
• SMILES: C3=C(O)C(=C2OC1=C(C(=C(OC)C(=C1OC(=O)C2=C3C)O)C(=O)C=C(C)C)C)C=O
• InChI: 1S/C22H20O8/c1-9(2)6-14(25)16-11(4)18-21(17(26)20(16)28-5)30-22(27)15-10(3)7-13(24)12(8-23)19(15)29-18/h6-8,24,26H,1-5H3
• InChIKey: RPSLZGPKLQLZGH-UHFFFAOYSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 672.208°C at 760 mmHg (Cal.)
• Flash point: 236.916°C (Cal.)