2-Butanoyl-4-[(3-Butanoyl-2,4,6-Trihydroxy-5-Methylphenyl)Methyl]-3,5-Dihydroxy-6,6-Dimethylcyclohexa-2,4-Dien-1-One
[CAS# 114-42-1]

Identification

• Name: 2-Butanoyl-4-[(3-Butanoyl-2,4,6-Trihydroxy-5-Methylphenyl)Methyl]-3,5-Dihydroxy-6,6-Dimethylcyclohexa-2,4-Dien-1-One
• Synonyms: 2-Butanoyl-4-[(3-Butanoyl-2,4,6-Trihydroxy-5-Methyl-Phenyl)Methyl]-3,5-Dihydroxy-6,6-Dimethyl-Cyclohexa-2,4-Dien-1-One; 3,5-Dihydroxy-6,6-Dimethyl-2-(1-Oxobutyl)-4-[[2,4,6-Trihydroxy-3-Methyl-5-(1-Oxobutyl)Phenyl]Methyl]-1-Cyclohexa-2,4-Dienone; 2-Butyryl-4-(3-Butyryl-2,4,6-Trihydroxy-5-Methyl-Benzyl)-3,5-Dihydroxy-6,6-Dimethyl-Cyclohexa-2,4-Dien-1-One
• Molecular Formula: C₂₄H₃₀O₈
• Molecular Weight: 446.50
• CAS Registry Number: 114-42-1
• SMILES: C(C1=C(O)C(C(=O)C(=C1O)C(=O)CCC)(C)C)C2=C(O)C(=C(O)C(=C2O)C)C(=O)CCC
• InChI: 1S/C24H30O8/c1-6-8-14(25)16-19(28)11(3)18(27)12(20(16)29)10-13-21(30)17(15(26)9-7-2)23(32)24(4,5)22(13)31/h27-31H,6-10H2,1-5H3
• InChIKey: NHVQLOCTXSMKIX-UHFFFAOYSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 721.88°C at 760 mmHg (Cal.)
• Flash point: 404.325°C (Cal.)