Humulon
[CAS# 469-02-3]

Identification

• Name: Humulon
• Synonyms: 5,6-Dihydroxy-2,6-Bis(3-Methylbut-2-Enyl)-4-(3-Methyl-1-Oxobutyl)Cyclohex-4-Ene-1,3-Dione; 5,6-Dihydroxy-4-Isovaleryl-2,6-Bis(3-Methylbut-2-Enyl)Cyclohex-4-Ene-1,3-Quinone; 2,4-Cyclohexadien-1-One, 3,5,6-Trihydroxy-2,6-Bis(3-Methyl-2-Butenyl)-4-(3-Methyl-1-Oxobutyl)-
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.47
• CAS Registry Number: 469-02-3
• SMILES: C(C1(C(=C(C(C(C1=O)CC=C(C)C)=O)C(CC(C)C)=O)O)O)C=C(C)C
• InChI: 1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14-15,25-26H,8,10-11H2,1-6H3
• InChIKey: IEHWDPKFDXJDJL-UHFFFAOYSA-N

Properties

• Density: 1.121g/cm³ (Cal.)
• Boiling point: 514.351°C at 760 mmHg (Cal.)
• Flash point: 278.955°C (Cal.)