3,5-Dihydroxy-7-Methoxy-2-(4-Methoxyphenyl)-4-Oxo-4H-1-Benzopyran-8-Yl Butyrate
[CAS# 69306-85-0]

Identification

• Name: 3,5-Dihydroxy-7-Methoxy-2-(4-Methoxyphenyl)-4-Oxo-4H-1-Benzopyran-8-Yl Butyrate
• Synonyms: [3,5-Dihydroxy-7-Methoxy-2-(4-Methoxyphenyl)-4-Oxo-Chromen-8-Yl] Butanoate; Butanoic Acid [3,5-Dihydroxy-7-Methoxy-2-(4-Methoxyphenyl)-4-Oxo-8-Chromenyl] Ester; Butyric Acid [3,5-Dihydroxy-4-Keto-7-Methoxy-2-(4-Methoxyphenyl)Chromen-8-Yl] Ester
• Molecular Formula: C₂₁H₂₀O₈
• Molecular Weight: 400.38
• CAS Registry Number: 69306-85-0
• EINECS: 273-964-5
• SMILES: C1=C(C(=C2C(=C1O)C(C(=C(O2)C3=CC=C(C=C3)OC)O)=O)OC(=O)CCC)OC
• InChI: 1S/C21H20O8/c1-4-5-15(23)28-20-14(27-3)10-13(22)16-17(24)18(25)19(29-21(16)20)11-6-8-12(26-2)9-7-11/h6-10,22,25H,4-5H2,1-3H3
• InChIKey: ZRKHWLRSNPTLPH-UHFFFAOYSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 594.279°C at 760 mmHg (Cal.)
• Flash point: 208.957°C (Cal.)