3-Methylbutyric Acid [[9R,10R,(+)]-10-Acetoxy-9,10-Dihydro-8,8-Dimethyl-2-Oxo-2H,8H-Benzo[1,2-b:3,4-b']Dipyran-9-Yl] Ester
[CAS# 6005-18-1]

Identification

• Name: 3-Methylbutyric Acid [[9R,10R,(+)]-10-Acetoxy-9,10-Dihydro-8,8-Dimethyl-2-Oxo-2H,8H-Benzo[1,2-b:3,4-b']Dipyran-9-Yl] Ester
• Synonyms: [(9R,10R)-10-Acetoxy-8,8-Dimethyl-2-Oxo-9,10-Dihydropyrano[6,5-H]Chromen-9-Yl] 3-Methylbutanoate; 3-Methylbutanoic Acid [(9R,10R)-10-Acetoxy-8,8-Dimethyl-2-Oxo-9,10-Dihydropyrano[6,5-H]Chromen-9-Yl] Ester; 3-Methylbutyric Acid [(9R,10R)-10-Acetoxy-2-Keto-8,8-Dimethyl-9,10-Dihydropyrano[6,5-H]Chromen-9-Yl] Ester
• Molecular Formula: C₂₁H₂₄O₇
• Molecular Weight: 388.42
• CAS Registry Number: 6005-18-1
• SMILES: [C@@H]1(OC(=O)C)C2=C(OC([C@@H]1OC(=O)CC(C)C)(C)C)C=CC3=C2OC(=O)C=C3
• InChI: 1S/C21H24O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3/t19-,20-/m1/s1
• InChIKey: ALKTVPFKDYZFGA-WOJBJXKFSA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Boiling point: 477.69°C at 760 mmHg (Cal.)
• Flash point: 206.895°C (Cal.)