3,8-Dihydroxy-4-Formyl-1,6,9-Trimethyl-11-Oxo-11H-Dibenzo[b,e][1,4]Dioxepin-7-Carboxylic Acid Methyl Ester
[CAS# 69306-81-6]

Identification

• Name: 3,8-Dihydroxy-4-Formyl-1,6,9-Trimethyl-11-Oxo-11H-Dibenzo[b,e][1,4]Dioxepin-7-Carboxylic Acid Methyl Ester
• Synonyms: Methyl 10-Formyl-3,9-Dihydroxy-1,4,7-Trimethyl-6-Oxo-Benzo[B][1,4]Benzodioxepine-2-Carboxylate; 10-Formyl-3,9-Dihydroxy-1,4,7-Trimethyl-6-Oxo-2-Benzo[B][1,4]Benzodioxepinecarboxylic Acid Methyl Ester; 10-Formyl-3,9-Dihydroxy-6-Keto-1,4,7-Trimethyl-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₉H₁₆O₈
• Molecular Weight: 372.33
• CAS Registry Number: 69306-81-6
• SMILES: C3=C(C2=C(OC1=C(C(=C(C(=C1C)C(=O)OC)O)C)OC2=O)C(=C3O)C=O)C
• InChI: 1S/C19H16O8/c1-7-5-11(21)10(6-20)17-12(7)19(24)27-16-9(3)14(22)13(18(23)25-4)8(2)15(16)26-17/h5-6,21-22H,1-4H3
• InChIKey: HTAATVDZOHXHBE-UHFFFAOYSA-N

Properties

• Density: 1.445g/cm³ (Cal.)
• Boiling point: 610.93°C at 760 mmHg (Cal.)
• Flash point: 221.793°C (Cal.)