2-Methyl-2-Butenoic Acid (3aS-(3aR*,4S*(Z),5S*,6E,9S*,10Z,11aS*))-2,3,3a,4,5,8,9,11a-Octahydro-5,9-Dihydroxy -6,10-Dimethyl-3-Methylene-2-Oxocyclodeca(b)Furan-4-Yl Ester
[CAS# 84886-38-4]

Identification

• Name: 2-Methyl-2-Butenoic Acid (3aS-(3aR*,4S*(Z),5S*,6E,9S*,10Z,11aS*))-2,3,3a,4,5,8,9,11a-Octahydro-5,9-Dihydroxy -6,10-Dimethyl-3-Methylene-2-Oxocyclodeca(b)Furan-4-Yl Ester
• Synonyms: [(3As,6Z,10Z)-5,9-Dihydroxy-6,10-Dimethyl-3-Methylene-2-Oxo-3A,4,5,8,9,11A-Hexahydrocyclodeca[B]Furan-4-Yl] (E)-2-Methylbut-2-Enoate; (E)-2-Methylbut-2-Enoic Acid [(3As,6Z,10Z)-5,9-Dihydroxy-6,10-Dimethyl-3-Methylene-2-Oxo-3A,4,5,8,9,11A-Hexahydrocyclodeca[B]Furan-4-Yl] Ester; (E)-2-Methylbut-2-Enoic Acid [(3As,6Z,10Z)-5,9-Dihydroxy-2-Keto-6,10-Dimethyl-3-Methylene-3A,4,5,8,9,11A-Hexahydrocyclodeca[D]Furan-4-Yl] Ester
• Molecular Formula: C₂₀H₂₆O₆
• Molecular Weight: 362.42
• CAS Registry Number: 84886-38-4
• SMILES: [C@@H]12C(OC(=O)C1=C)\C=C(C(O)C/C=C(C(O)C2OC(=O)C(=C/C)/C)/C)\C
• InChI: 1S/C20H26O6/c1-6-10(2)19(23)26-18-16-13(5)20(24)25-15(16)9-12(4)14(21)8-7-11(3)17(18)22/h6-7,9,14-18,21-22H,5,8H2,1-4H3/b10-6+,11-7-,12-9-/t14?,15?,16-,17?,18?/m0/s1
• InChIKey: BXFQVBKJGJTIAT-CGSFVSGYSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Boiling point: 568.261°C at 760 mmHg (Cal.)
• Flash point: 199.07°C (Cal.)