Kievitone
[CAS# 40105-60-0]

Identification

• Name: Kievitone
• Synonyms: 3-(2,4-Dihydroxyphenyl)-5,7-Dihydroxy-8-(3-Methylbut-2-Enyl)-4-Chromanone; 3-(2,4-Dihydroxyphenyl)-5,7-Dihydroxy-8-(3-Methylbut-2-En-1-Yl)-2,3-Dihydro-4H-Chromen-4-One; Chebi:16832
• Molecular Formula: C₂₀H₂₀O₆
• Molecular Weight: 356.37
• CAS Registry Number: 40105-60-0
• SMILES: C1=C(C(=C3C(=C1O)C(C(C2=C(C=C(O)C=C2)O)CO3)=O)CC=C(C)C)O
• InChI: 1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3
• InChIKey: MERHMOCEIBOOMA-UHFFFAOYSA-N

Properties

• Density: 1.384g/cm³ (Cal.)
• Boiling point: 639.642°C at 760 mmHg (Cal.)
• Flash point: 231.403°C (Cal.)

References

• (1): Jianfeng Jin and Ulf Hanefeld. The selective addition of water to Cî€C bonds; enzymes are the best chemists, Chem. Commun., 2011, 47, 2502.