3-Methyl-2-Butenoic Acid 9alpha-(Acetyloxy)-9,10-Dihydro-8,8-Dimethyl-2-Oxo-2H,8H-Benzo[1,2-b:3,4-b']Dipyran-10alpha-Yl Ester
[CAS# 53023-18-0]

Identification

• Name: 3-Methyl-2-Butenoic Acid 9alpha-(Acetyloxy)-9,10-Dihydro-8,8-Dimethyl-2-Oxo-2H,8H-Benzo[1,2-b:3,4-b']Dipyran-10alpha-Yl Ester
• Synonyms: [(9R,10R)-9-Acetoxy-8,8-Dimethyl-2-Oxo-9,10-Dihydropyrano[6,5-H]Chromen-10-Yl] 3-Methylbut-2-Enoate; 3-Methylbut-2-Enoic Acid [(9R,10R)-9-Acetoxy-8,8-Dimethyl-2-Oxo-9,10-Dihydropyrano[6,5-H]Chromen-10-Yl] Ester; 3-Methylbut-2-Enoic Acid [(9R,10R)-9-Acetoxy-2-Keto-8,8-Dimethyl-9,10-Dihydropyrano[6,5-H]Chromen-10-Yl] Ester
• Molecular Formula: C₂₁H₂₂O₇
• Molecular Weight: 386.40
• CAS Registry Number: 53023-18-0
• SMILES: [C@H]1(C2=C(OC(C)(C)[C@@H]1OC(=O)C)C=CC3=C2OC(C=C3)=O)OC(C=C(C)C)=O
• InChI: 1S/C21H22O7/c1-11(2)10-16(24)27-19-17-14(28-21(4,5)20(19)25-12(3)22)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1
• InChIKey: VPDWBGHNQKUFNN-WOJBJXKFSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 486.817°C at 760 mmHg (Cal.)
• Flash point: 211.534°C (Cal.)