2-Butanoyl-4-[[3-Butanoyl-5-[(3-Butanoyl-2,4,6-Trihydroxy-5-Methylphenyl)Methyl]-2,4,6-Trihydroxyphenyl]Methyl]-3,5-Dihydroxy-6,6-Dimethylcyclohexa-2,4-Dien-1-One
[CAS# 36253-23-3]

Identification

• Name: 2-Butanoyl-4-[[3-Butanoyl-5-[(3-Butanoyl-2,4,6-Trihydroxy-5-Methylphenyl)Methyl]-2,4,6-Trihydroxyphenyl]Methyl]-3,5-Dihydroxy-6,6-Dimethylcyclohexa-2,4-Dien-1-One
• Synonyms: 2-Butanoyl-4-[[3-Butanoyl-5-[(3-Butanoyl-2,4,6-Trihydroxy-5-Methyl-Phenyl)Methyl]-2,4,6-Trihydroxy-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-(1-Oxobutyl)-5-[[2,4,6-Trihydroxy-3-Methyl-5-(1-Oxobutyl)Phenyl]Methyl]Phenyl]Methyl]-1-Cyclohexa-2,4-Dienone; 2-Butyryl-4-[3-Butyryl-5-(3-Butyryl-2,4,6-Trihydroxy-5-Methyl-Benzyl)-2,4,6-Trihydroxy-Benzyl]-3,5-Dihydroxy-6,6-Dimethyl-Cyclohexa-2,4-Dien-1-One
• Molecular Formula: C₃₅H₄₂O₁₂
• Molecular Weight: 654.71
• CAS Registry Number: 36253-23-3
• SMILES: C(C1=C(O)C(C(=O)C(=C1O)C(=O)CCC)(C)C)C2=C(O)C(=C(O)C(=C2O)CC3=C(O)C(=C(O)C(=C3O)C)C(=O)CCC)C(=O)CCC
• InChI: 1S/C35H42O12/c1-7-10-20(36)23-27(40)15(4)26(39)16(29(23)42)13-17-28(41)18(31(44)24(30(17)43)21(37)11-8-2)14-19-32(45)25(22(38)12-9-3)34(47)35(5,6)33(19)46/h39-46H,7-14H2,1-6H3
• InChIKey: YAWQELJXNKRLJI-UHFFFAOYSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 875.608°C at 760 mmHg (Cal.)
• Flash point: 497.194°C (Cal.)