2-Butyryl-4-[3-butyryl-5-(3-butyryl-2,4-dihydroxy-6-methoxy-benzyl)-2,4,6-trihydroxy-benzyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
[CAS# 20213-24-5]

Identification

• Name: 2-Butyryl-4-[3-butyryl-5-(3-butyryl-2,4-dihydroxy-6-methoxy-benzyl)-2,4,6-trihydroxy-benzyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
• Synonyms: 2-Butanoyl-4-[[3-Butanoyl-5-[(3-Butanoyl-2,4-Dihydroxy-6-Methoxy-Phenyl)Methyl]-2,4,6-Trihydroxy-Phenyl]Methyl]-3,5-Dihydroxy-6,6-Dimethyl-Cyclohexa-2,4-Dien-1-One; 4-[[3-[[2,4-Dihydroxy-6-Methoxy-3-(1-Oxobutyl)Phenyl]Methyl]-2,4,6-Trihydroxy-5-(1-Oxobutyl)Phenyl]Methyl]-3,5-Dihydroxy-6,6-Dimethyl-2-(1-Oxobutyl)-1-Cyclohexa-2,4-Dienone; 2-Butyryl-4-[3-Butyryl-5-(3-Butyryl-2,4-Dihydroxy-6-Methoxy-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: 20213-24-5
• SMILES: C1=C(O)C(=C(O)C(=C1OC)CC2=C(O)C(=C(O)C(=C2O)C(=O)CCC)CC3=C(O)C(C(=O)C(=C3O)C(=O)CCC)(C)C)C(=O)CCC
• InChI: 1S/C35H42O12/c1-7-10-20(36)25-23(39)15-24(47-6)16(29(25)41)13-17-28(40)18(31(43)26(30(17)42)21(37)11-8-2)14-19-32(44)27(22(38)12-9-3)34(46)35(4,5)33(19)45/h15,39-45H,7-14H2,1-6H3
• InChIKey: DZHPZVNEJQJWQF-UHFFFAOYSA-N

Properties

• Density: 1.361g/cm³ (Cal.)
• Boiling point: 860.866°C at 760 mmHg (Cal.)
• Flash point: 267.987°C (Cal.)