2-Methylpropenoic Acid [(3aR,6abeta,9abeta,9balpha)-Dodecahydro-8alpha-Hydroxy-3,6,9-Tris(Methylene)-2-Oxoazuleno[4,5-b]Furan-4beta-Yl] Ester
[CAS# 68370-45-6]

Identification

• Name: 2-Methylpropenoic Acid [(3aR,6abeta,9abeta,9balpha)-Dodecahydro-8alpha-Hydroxy-3,6,9-Tris(Methylene)-2-Oxoazuleno[4,5-b]Furan-4beta-Yl] Ester
• Synonyms: [(3Ar,4S,6Ar,8S,9Ar,9Br)-8-Hydroxy-3,6,9-Trimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] 2-Methylprop-2-Enoate; 2-Methylprop-2-Enoic Acid [(3Ar,4S,6Ar,8S,9Ar,9Br)-8-Hydroxy-3,6,9-Trimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] Ester; 2-Methylacrylic Acid [(3Ar,4S,6Ar,8S,9Ar,9Br)-8-Hydroxy-2-Keto-3,6,9-Trimethylene-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[5,4-D]Furan-4-Yl] Ester
• Molecular Formula: C₁₉H₂₂O₅
• Molecular Weight: 330.38
• CAS Registry Number: 68370-45-6
• SMILES: [C@@H]12[C@@H]3[C@H](C(=C)C[C@@H]([C@H]1C(=C)C(O2)=O)OC(C(=C)C)=O)C[C@@H](C3=C)O
• InChI: 1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1
• InChIKey: ZGDWDAMVZDRRQA-NQLMQOPMSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 508.683°C at 760 mmHg (Cal.)
• Flash point: 181.71°C (Cal.)