5,7-Dihydroxy-6-(3-Methyl-2-Butenyl)-8-(3-Methylbutyryl)-4-Phenyl-2H-1-Benzopyran-2-One
[CAS# 5224-54-4]

Identification

• Name: 5,7-Dihydroxy-6-(3-Methyl-2-Butenyl)-8-(3-Methylbutyryl)-4-Phenyl-2H-1-Benzopyran-2-One
• Synonyms: 5,7-Dihydroxy-8-(3-Methylbutanoyl)-6-(3-Methylbut-2-Enyl)-4-Phenyl-Chromen-2-One; 5,7-Dihydroxy-6-(3-Methylbut-2-Enyl)-8-(3-Methyl-1-Oxobutyl)-4-Phenyl-2-Chromenone; 5,7-Dihydroxy-8-Isovaleryl-6-(3-Methylbut-2-Enyl)-4-Phenyl-Coumarin
• Molecular Formula: C₂₅H₂₆O₅
• Molecular Weight: 406.48
• CAS Registry Number: 5224-54-4
• SMILES: C3=C(C1=CC(=O)OC2=C(C(CC(C)C)=O)C(=C(C(=C12)O)CC=C(C)C)O)C=CC=C3
• InChI: 1S/C25H26O5/c1-14(2)10-11-17-23(28)21-18(16-8-6-5-7-9-16)13-20(27)30-25(21)22(24(17)29)19(26)12-15(3)4/h5-10,13,15,28-29H,11-12H2,1-4H3
• InChIKey: SBHOAZQBEGVQLJ-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 629.117°C at 760 mmHg (Cal.)
• Flash point: 215.273°C (Cal.)