6-Hydroxy-2'-Methoxy-2,4'-Dioxo-4,6'-Dipentylspiro[1-Benzofuran-3,1'-Cyclohexa[2,5]Diene]-5-Carboxylic Acid
[CAS# 466-34-2]

Identification

• Name: 6-Hydroxy-2'-Methoxy-2,4'-Dioxo-4,6'-Dipentylspiro[1-Benzofuran-3,1'-Cyclohexa[2,5]Diene]-5-Carboxylic Acid
• Synonyms: 6-Hydroxy-2'-methoxy-2,4'-dioxo-4,6'-dipentylspiro[1-benzofuran-3,1'-cyclohexa[2,5]diene]-5-carboxylic acid; PICROLICHENIC ACID; AIDS012069
• Molecular Formula: C₂₅H₃₀O₇
• Molecular Weight: 442.50
• CAS Registry Number: 466-34-2
• SMILES: O=C(O)c3c(O)cc2OC(=O)C1(/C(=C\C(=O)\C=C1\OC)CCCCC)c2c3CCCCC
• InChI: 1S/C25H30O7/c1-4-6-8-10-15-12-16(26)13-20(31-3)25(15)22-17(11-9-7-5-2)21(23(28)29)18(27)14-19(22)32-24(25)30/h12-14,27H,4-11H2,1-3H3,(H,28,29)
• InChIKey: LOGCRVAWKCZXQM-UHFFFAOYSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 629.24°C at 760 mmHg (Cal.)
• Flash point: 211.202°C (Cal.)