Monoanhydroaklavinone
[CAS# 96886-78-1]

Identification

• Name: Monoanhydroaklavinone
• Synonyms: 2-Ethyl-4,5,7-Trihydroxy-6,11-Dioxo-3,4-Dihydrotetracene-1-Carboxylic Acid Methyl Ester; 2-Ethyl-4,5,7-Trihydroxy-6,11-Diketo-3,4-Dihydrotetracene-1-Carboxylic Acid Methyl Ester; Anhydro-Aklavinone
• Molecular Formula: C₂₂H₁₈O₇
• Molecular Weight: 394.38
• CAS Registry Number: 96886-78-1
• SMILES: C1=C4C(=C(O)C3=C1C(=O)C2=CC=CC(=C2C3=O)O)C(O)CC(=C4C(OC)=O)CC
• InChI: 1S/C22H18O7/c1-3-9-7-14(24)17-11(15(9)22(28)29-2)8-12-18(21(17)27)20(26)16-10(19(12)25)5-4-6-13(16)23/h4-6,8,14,23-24,27H,3,7H2,1-2H3
• InChIKey: CUNGDCZBOVHVRQ-UHFFFAOYSA-N

Properties

• Density: 1.493g/cm³ (Cal.)
• Boiling point: 672.979°C at 760 mmHg (Cal.)
• Flash point: 240.842°C (Cal.)