1-[3,5-Bis[(3-Butanoyl-2,6-Dihydroxy-4-Methoxy-5-Methyl-Phenyl)Methyl] -2,4,6-Trihydroxy-Phenyl]Butan-1-One
[CAS# 55785-59-6]

Identification

• Name: 1-[3,5-Bis[(3-Butanoyl-2,6-Dihydroxy-4-Methoxy-5-Methyl-Phenyl)Methyl] -2,4,6-Trihydroxy-Phenyl]Butan-1-One
• Synonyms: 1-[3,5-Bis[(3-Butanoyl-2,6-Dihydroxy-4-Methoxy-5-Methyl-Phenyl)Methyl]-2,4,6-Trihydroxy-Phenyl]Butan-1-One; 1-[3,5-Bis[[2,6-Dihydroxy-4-Methoxy-3-Methyl-5-(1-Oxobutyl)Phenyl]Methyl]-2,4,6-Trihydroxyphenyl]Butan-1-One; 1-[3,5-Bis(3-Butyryl-2,6-Dihydroxy-4-Methoxy-5-Methyl-Benzyl)-2,4,6-Trihydroxy-Phenyl]Butan-1-One
• Molecular Formula: C₃₆H₄₄O₁₂
• Molecular Weight: 668.74
• CAS Registry Number: 55785-59-6
• SMILES: C(C1=C(O)C(=C(O)C(=C1O)C(=O)CCC)CC2=C(O)C(=C(OC)C(=C2O)C)C(=O)CCC)C3=C(O)C(=C(OC)C(=C3O)C)C(=O)CCC
• InChI: 1S/C36H44O12/c1-8-11-22(37)25-31(43)20(14-18-28(40)16(4)35(47-6)26(33(18)45)23(38)12-9-2)30(42)21(32(25)44)15-19-29(41)17(5)36(48-7)27(34(19)46)24(39)13-10-3/h40-46H,8-15H2,1-7H3
• InChIKey: PFWJPXGNICZIQB-UHFFFAOYSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 922.989°C at 760 mmHg (Cal.)
• Flash point: 286.815°C (Cal.)