3,5,6-Trihydroxy-4,6-Bis(3-Methylbut-2-Enyl)-2-(2-Methylpropanoyl)Cyclohexa-2,4-Dien-1-One
[CAS# 142628-20-4]

Identification

• Name: 3,5,6-Trihydroxy-4,6-Bis(3-Methylbut-2-Enyl)-2-(2-Methylpropanoyl)Cyclohexa-2,4-Dien-1-One
• Synonyms: 3,5,6-Trihydroxy-4,6-Bis(3-Methylbut-2-Enyl)-2-(2-Methyl-1-Oxopropyl)-1-Cyclohexa-2,4-Dienone; 3,5,6-Trihydroxy-2-Isobutyryl-4,6-Bis(3-Methylbut-2-Enyl)Cyclohexa-2,4-Dien-1-One; Cohumulone
• Molecular Formula: C₂₀H₂₈O₅
• Molecular Weight: 348.44
• CAS Registry Number: 142628-20-4 (511-25-1)
• SMILES: C(C1(O)C(=O)C(=C(O)C(=C1O)CC=C(C)C)C(=O)C(C)C)C=C(C)C
• InChI: 1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3
• InChIKey: DRSITEVYZGOOQG-UHFFFAOYSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 562.669°C at 760 mmHg (Cal.)
• Flash point: 308.144°C (Cal.)