3,6,7-Trihydroxy-2-[4-Hydroxy-3-(3-Methylbut-2-Enoxy)Phenyl]Chromen-4-One
[CAS# 139163-16-9]

Identification

• Name: 3,6,7-Trihydroxy-2-[4-Hydroxy-3-(3-Methylbut-2-Enoxy)Phenyl]Chromen-4-One
• Synonyms: 3,6,7-Trihydroxy-2-[4-Hydroxy-3-(3-Methylbut-2-Enoxy)Phenyl]-4-Chromenone; 3,6,7-Trihydroxy-2-[4-Hydroxy-3-(3-Methylbut-2-Enoxy)Phenyl]Chromone; 3,6,7,3',4'-Pentahydroxy-2'-Isoprenylflavone
• Molecular Formula: C₂₀H₁₈O₇
• Molecular Weight: 370.36
• CAS Registry Number: 139163-16-9
• SMILES: C1=C(O)C(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(O)C=C3)OCC=C(C)C)O)O
• InChI: 1S/C20H18O7/c1-10(2)5-6-26-17-7-11(3-4-13(17)21)20-19(25)18(24)12-8-14(22)15(23)9-16(12)27-20/h3-5,7-9,21-23,25H,6H2,1-2H3
• InChIKey: XHGNOEWBXVPYDM-UHFFFAOYSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 647.974°C at 760 mmHg (Cal.)
• Flash point: 234.243°C (Cal.)