6-(1-Acetoxy-3-Oxobutyl)-3,3a,4,7,8,8alpha-Hexahydro-7-Methyl-3-Methylene-2H-Cyclohepta[b]Furan-2-One
[CAS# 580-49-4]

Identification

• Name: 6-(1-Acetoxy-3-Oxobutyl)-3,3a,4,7,8,8alpha-Hexahydro-7-Methyl-3-Methylene-2H-Cyclohepta[b]Furan-2-One
• Synonyms: [1-[(3Ar,7S,8As)-7-Methyl-3-Methylene-2-Oxo-4,7,8,8A-Tetrahydro-3Ah-Cyclohepta[B]Furan-6-Yl]-3-Oxo-Butyl] Acetate; Acetic Acid [1-[(3Ar,7S,8As)-7-Methyl-3-Methylene-2-Oxo-4,7,8,8A-Tetrahydro-3Ah-Cyclohepta[B]Furan-6-Yl]-3-Oxobutyl] Ester; Acetic Acid [1-[(3Ar,7S,8As)-2-Keto-7-Methyl-3-Methylene-4,7,8,8A-Tetrahydro-3Ah-Cyclohepta[D]Furan-6-Yl]-3-Keto-Butyl] Ester
• Molecular Formula: C₁₇H₂₂O₅
• Molecular Weight: 306.36
• CAS Registry Number: 580-49-4
• SMILES: [C@@H]12OC(C([C@H]1CC=C(C(OC(=O)C)CC(=O)C)[C@H](C2)C)=C)=O
• InChI: 1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15-,16?/m0/s1
• InChIKey: DPSCQKGSAHTWSP-LPVYDGHXSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 476.31°C at 760 mmHg (Cal.)
• Flash point: 210.643°C (Cal.)