3-Methyl-2-Butenoic Acid (3aS)-3a,4,5,6,6abeta,7,8,9,9abeta,9balpha-Decahydro-3,6,9-Tris(Methylene)-2-Oxoazuleno[4,5-b]Furan-8alpha-Yl Ester
[CAS# 57576-43-9]

Identification

• Name: 3-Methyl-2-Butenoic Acid (3aS)-3a,4,5,6,6abeta,7,8,9,9abeta,9balpha-Decahydro-3,6,9-Tris(Methylene)-2-Oxoazuleno[4,5-b]Furan-8alpha-Yl Ester
• Synonyms: [(3As,6Ar,8S,9Ar,9Bs)-3,6,9-Trimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-8-Yl] 3-Methylbut-2-Enoate; 3-Methylbut-2-Enoic Acid [(3As,6Ar,8S,9Ar,9Bs)-3,6,9-Trimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-8-Yl] Ester; 3-Methylbut-2-Enoic Acid [(3As,6Ar,8S,9Ar,9Bs)-2-Keto-3,6,9-Trimethylene-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[5,4-D]Furan-8-Yl] Ester
• Molecular Formula: C₂₀H₂₄O₄
• Molecular Weight: 328.41
• CAS Registry Number: 57576-43-9
• SMILES: [C@@H]12[C@@H](C[C@H](OC(=O)C=C(C)C)C1=C)C(CC[C@@H]3[C@@H]2OC(=O)C3=C)=C
• InChI: 1S/C20H24O4/c1-10(2)8-17(21)23-16-9-15-11(3)6-7-14-12(4)20(22)24-19(14)18(15)13(16)5/h8,14-16,18-19H,3-7,9H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
• InChIKey: CEKDWOBPPFOCDL-QAGGRKNESA-N

Properties

• Density: 1.137g/cm³ (Cal.)
• Boiling point: 474.714°C at 760 mmHg (Cal.)
• Flash point: 237.903°C (Cal.)