[(3aR,4R,5E,9E,11aS)-6,10-Dimethyl-3-Methylidene-2-Oxo-3a,4,7,8,11,11a-Hexahydrocyclodeca[b]Furan-4-Yl] Acetate
[CAS# 35001-25-3]

Identification

• Name: [(3aR,4R,5E,9E,11aS)-6,10-Dimethyl-3-Methylidene-2-Oxo-3a,4,7,8,11,11a-Hexahydrocyclodeca[b]Furan-4-Yl] Acetate
• Synonyms: [(3Ar,4R,5E,9E,11As)-6,10-Dimethyl-3-Methylene-2-Oxo-3A,4,7,8,11,11A-Hexahydrocyclodeca[B]Furan-4-Yl] Acetate; Acetic Acid [(3Ar,4R,5E,9E,11As)-6,10-Dimethyl-3-Methylene-2-Oxo-3A,4,7,8,11,11A-Hexahydrocyclodeca[B]Furan-4-Yl] Ester; Acetic Acid [(3Ar,4R,5E,9E,11As)-2-Keto-6,10-Dimethyl-3-Methylene-3A,4,7,8,11,11A-Hexahydrocyclodeca[D]Furan-4-Yl] Ester
• Molecular Formula: C₁₇H₂₂O₄
• Molecular Weight: 290.36
• CAS Registry Number: 35001-25-3
• SMILES: [C@@H]12C(C(O[C@H]1CC(=C/CCC(=C/[C@H]2OC(=O)C)/C)/C)=O)=C
• InChI: 1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8+,11-7+/t14-,15+,16+/m1/s1
• InChIKey: ORJVLIMAQARNOU-SYQXSARVSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 436.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 218.5±27.1°C (Cal.)