(Z)-2-Methyl-2-Butenoic Acid [(3aS)-2,3,3a,4,4a,5,7aalpha,8,9,9aalpha-Decahydro-4abeta,8alpha-Dimethyl-3-Methylene-2,5,9-Trioxoazuleno[6,5-b]Furan-4alpha-Yl] Ester
[CAS# 64937-26-4]

Identification

• Name: (Z)-2-Methyl-2-Butenoic Acid [(3aS)-2,3,3a,4,4a,5,7aalpha,8,9,9aalpha-Decahydro-4abeta,8alpha-Dimethyl-3-Methylene-2,5,9-Trioxoazuleno[6,5-b]Furan-4alpha-Yl] Ester
• Synonyms: [(3As,5S,5As,8Ar,9S,9As)-5,8A-Dimethyl-1-Methylidene-2,4,8-Trioxo-5,5A,9,9A-Tetrahydro-3Ah-Azuleno[6,5-B]Furan-9-Yl] (E)-2-Methylbut-2-Enoate; [(3As,5S,5As,8Ar,9S,9As)-5,8A-Dimethyl-1-Methylene-2,4,8-Trioxo-5,5A,9,9A-Tetrahydro-3Ah-Azuleno[6,5-B]Furan-9-Yl] 2-Methylbut-2-Enoate; [(3As,5S,5As,8Ar,9S,9As)-5,8A-Dimethyl-1-Methylene-2,4,8-Trioxo-5,5A,9,9A-Tetrahydro-3Ah-Azuleno[6,5-B]Furan-9-Yl] (E)-2-Methylbut-2-Enoate
• Molecular Formula: C₂₀H₂₂O₆
• Molecular Weight: 358.39
• CAS Registry Number: 64937-26-4
• SMILES: [C@]23([C@H]([C@@H](C(=O)[C@H]1OC(=O)C([C@H]1[C@@H]2OC(=O)C(/C)=C/C)=C)C)C=CC3=O)C
• InChI: 1S/C20H22O6/c1-6-9(2)18(23)26-17-14-11(4)19(24)25-16(14)15(22)10(3)12-7-8-13(21)20(12,17)5/h6-8,10,12,14,16-17H,4H2,1-3,5H3/b9-6+/t10-,12-,14+,16-,17-,20-/m0/s1
• InChIKey: YPIMMVOHCVOXKT-SHJUBZLESA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 548.604°C at 760 mmHg (Cal.)
• Flash point: 241.079°C (Cal.)