3,5-Dihydroxy-6,6-Dimethyl-2-(2-Methylpropanoyl)-4-[[2,4,6-Trihydroxy-3-Methyl-5-(2-Methylbutanoyl)Phenyl]Methyl]Cyclohexa-2,4-Dien-1-One
[CAS# 112663-68-0]

Identification

• Name: 3,5-Dihydroxy-6,6-Dimethyl-2-(2-Methylpropanoyl)-4-[[2,4,6-Trihydroxy-3-Methyl-5-(2-Methylbutanoyl)Phenyl]Methyl]Cyclohexa-2,4-Dien-1-One
• Synonyms: 3,5-Dihydroxy-6,6-Dimethyl-2-(2-Methyl-1-Oxopropyl)-4-[[2,4,6-Trihydroxy-3-Methyl-5-(2-Methyl-1-Oxobutyl)Phenyl]Methyl]-1-Cyclohexa-2,4-Dienone; 3,5-Dihydroxy-2-Isobutyryl-6,6-Dimethyl-4-[2,4,6-Trihydroxy-3-Methyl-5-(2-Methylbutanoyl)Benzyl]Cyclohexa-2,4-Dien-1-One; 2,5-Cyclohexadien-1-One, 3,5-Dihydroxy-4,4-Dimethyl-2-(2-Methyl-1-Oxopropyl)-6-((2,4,6-Trihydroxy-3-Methyl-5-(2-Methyl-1-Oxobutyl)Phenyl)Methyl)-
• Molecular Formula: C₂₅H₃₂O₈
• Molecular Weight: 460.52
• CAS Registry Number: 112663-68-0
• SMILES: C(C1=C(O)C(C(=O)C(=C1O)C(=O)C(C)C)(C)C)C2=C(O)C(=C(O)C(=C2O)C)C(=O)C(CC)C
• InChI: 1S/C25H32O8/c1-8-11(4)18(27)15-20(29)12(5)19(28)13(21(15)30)9-14-22(31)16(17(26)10(2)3)24(33)25(6,7)23(14)32/h10-11,28-32H,8-9H2,1-7H3
• InChIKey: XEWUKGNAGYTTTK-UHFFFAOYSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 715.969°C at 760 mmHg (Cal.)
• Flash point: 400.755°C (Cal.)