(3S)-4beta-Acetoxy-3,3abeta,4,5,9abeta,9balpha-Hexahydro-3beta,6,9-Trimethylazuleno[4,5-b]Furan-2,7-Dione
[CAS# 5989-43-5]

Identification

• Name: (3S)-4beta-Acetoxy-3,3abeta,4,5,9abeta,9balpha-Hexahydro-3beta,6,9-Trimethylazuleno[4,5-b]Furan-2,7-Dione
• Synonyms: Acetic Acid [(3S,3Ar,4S,9As,9Br)-3,6,9-Trimethyl-2,7-Dioxo-3,3A,4,5,9A,9B-Hexahydroazuleno[4,5-B]Furan-4-Yl] Ester; Acetic Acid [(3S,3Ar,4S,9As,9Br)-2,7-Diketo-3,6,9-Trimethyl-3,3A,4,5,9A,9B-Hexahydroazuleno[5,4-D]Furan-4-Yl] Ester; [(3S,3Ar,4S,9As,9Br)-3,6,9-Trimethyl-2,7-Dioxo-3,3A,4,5,9A,9B-Hexahydroazuleno[4,5-B]Furan-4-Yl] Ethanoate
• Molecular Formula: C₁₇H₂₀O₅
• Molecular Weight: 304.34
• CAS Registry Number: 5989-43-5
• SMILES: [C@@H]23[C@H]1OC(=O)[C@H]([C@@H]1[C@@H](OC(=O)C)CC(=C2C(=O)C=C3C)C)C
• InChI: 1S/C17H20O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,9,12,14-16H,6H2,1-4H3/t9-,12-,14-,15+,16+/m0/s1
• InChIKey: QONYNSMAVSRIRD-UPQAZBFISA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 482.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 214.5±28.8°C (Cal.)

References

• (1): M. Parvez, V. U. Ahmad, U. Farooq, A. R. Jassbi and H. S. Raziullah. Matricarin, Acta Cryst. (2002). E58, o324-o325