3,5-Dihydroxy-6,6-Dimethyl-2-(2-Methylpropanoyl)-4-[[2,4,6-Trihydroxy-3-Methyl-5-(2-Methylpropanoyl)Phenyl]Methyl]Cyclohexa-2,4-Dien-1-One
[CAS# 112663-69-1]

Identification

• Name: 3,5-Dihydroxy-6,6-Dimethyl-2-(2-Methylpropanoyl)-4-[[2,4,6-Trihydroxy-3-Methyl-5-(2-Methylpropanoyl)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-Oxopropyl)Phenyl]Methyl]-1-Cyclohexa-2,4-Dienone; 3,5-Dihydroxy-2-Isobutyryl-6,6-Dimethyl-4-(2,4,6-Trihydroxy-3-Isobutyryl-5-Methyl-Benzyl)Cyclohexa-2,4-Dien-1-One; Saroaspidin A
• Molecular Formula: C₂₄H₃₀O₈
• Molecular Weight: 446.50
• CAS Registry Number: 112663-69-1
• 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(C)C
• InChI: 1S/C24H30O8/c1-9(2)16(25)14-19(28)11(5)18(27)12(20(14)29)8-13-21(30)15(17(26)10(3)4)23(32)24(6,7)22(13)31/h9-10,27-31H,8H2,1-7H3
• InChIKey: QNAVIUVOJCTDPT-UHFFFAOYSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 710.705°C at 760 mmHg (Cal.)
• Flash point: 397.574°C (Cal.)