5,10-Dihydroxy-7-Methoxy-3-Methyl-1H-Benzo[g]Isochromene-6,9-Dione
[CAS# 79383-28-1]

Identification

• Name: 5,10-Dihydroxy-7-Methoxy-3-Methyl-1H-Benzo[g]Isochromene-6,9-Dione
• Synonyms: 5,10-Dihydroxy-7-Methoxy-3-Methyl-1H-Benzo[G]Isochromene-6,9-Quinone; 1H-Naphtho(2,3-C)Pyran-5,10-Dione, 6,9-Dihydroxy-7-Methoxy-3-Methyl-
• Molecular Formula: C₁₅H₁₂O₆
• Molecular Weight: 288.26
• CAS Registry Number: 79383-28-1
• SMILES: CC2=CC1=C(C3=C(C(=C1CO2)O)C(C=C(OC)C3=O)=O)O
• InChI: 1S/C15H12O6/c1-6-3-7-8(5-21-6)14(18)11-9(16)4-10(20-2)15(19)12(11)13(7)17/h3-4,17-18H,5H2,1-2H3
• InChIKey: ZFYMKRBESCDJHI-UHFFFAOYSA-N

Properties

• Density: 1.553g/cm³ (Cal.)
• Boiling point: 634.267°C at 760 mmHg (Cal.)
• Flash point: 245.42°C (Cal.)

References

• (1): Adushan Pillay, Amanda L. Rousseau, Manuel A. FernandesFor correspondence regarding crystallography, Manuel.Fernandes@wits.ac.za and Charles B. de Koning. The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate an d salcomine, Org. Biomol. Chem., 2012, 10, 7809.