4-Phenyl-5,7-Dihydroxy-6-(3-Methylbutanoyl)-8-(3-Methyl-2-Butenyl)-2H-1-Benzopyran-2-One
[CAS# 18483-64-2]

Identification

• Name: 4-Phenyl-5,7-Dihydroxy-6-(3-Methylbutanoyl)-8-(3-Methyl-2-Butenyl)-2H-1-Benzopyran-2-One
• Synonyms: 5,7-Dihydroxy-6-(3-Methylbutanoyl)-8-(3-Methylbut-2-Enyl)-4-Phenyl-Chromen-2-One; 5,7-Dihydroxy-8-(3-Methylbut-2-Enyl)-6-(3-Methyl-1-Oxobutyl)-4-Phenyl-2-Chromenone; 5,7-Dihydroxy-6-Isovaleryl-8-(3-Methylbut-2-Enyl)-4-Phenyl-Coumarin
• Molecular Formula: C₂₅H₂₆O₅
• Molecular Weight: 406.48
• CAS Registry Number: 18483-64-2
• SMILES: C3=C(C1=CC(OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O)=O)C=CC=C3
• InChI: 1S/C25H26O5/c1-14(2)10-11-17-23(28)22(19(26)12-15(3)4)24(29)21-18(13-20(27)30-25(17)21)16-8-6-5-7-9-16/h5-10,13,15,28-29H,11-12H2,1-4H3
• InChIKey: JIFOADIANOIMSK-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 607.879°C at 760 mmHg (Cal.)
• Flash point: 207.011°C (Cal.)