3,5,6-Trihydroxy-2-(2-Methylbutanoyl)-4,6-Bis(3-Methylbut-2-Enyl)Cyclohexa-2,4-Dien-1-One
[CAS# 31769-65-0]

Identification

• Name: 3,5,6-Trihydroxy-2-(2-Methylbutanoyl)-4,6-Bis(3-Methylbut-2-Enyl)Cyclohexa-2,4-Dien-1-One
• Synonyms: 3,5,6-Trihydroxy-4,6-Bis(3-Methylbut-2-Enyl)-2-(2-Methyl-1-Oxobutyl)-1-Cyclohexa-2,4-Dienone
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.47
• CAS Registry Number: 31769-65-0
• SMILES: C(C1(O)C(=C(C(=C(C1=O)C(=O)C(CC)C)O)CC=C(C)C)O)C=C(C)C
• InChI: 1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14,23-24,26H,7,9,11H2,1-6H3
• InChIKey: LDXMPKMQIKGJFN-UHFFFAOYSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 571.408°C at 760 mmHg (Cal.)
• Flash point: 313.424°C (Cal.)