(3aR)-2,3,3a,4,4a,5,7aalpha,8,9,9aalpha-Decahydro-4abeta,8alpha-Dimethyl-3-Methylene-4beta-Acetoxyazuleno[6,5-b]Furan-2,5-Dione
[CAS# 6895-47-2]

Identification

• Name: (3aR)-2,3,3a,4,4a,5,7aalpha,8,9,9aalpha-Decahydro-4abeta,8alpha-Dimethyl-3-Methylene-4beta-Acetoxyazuleno[6,5-b]Furan-2,5-Dione
• Synonyms: [(3Ar,5S,5Ar,8Ar,9R,9Ar)-5,8A-Dimethyl-1-Methylene-2,8-Dioxo-3A,4,5,5A,9,9A-Hexahydroazuleno[6,5-B]Furan-9-Yl] Acetate; Acetic Acid [(3Ar,5S,5Ar,8Ar,9R,9Ar)-5,8A-Dimethyl-1-Methylene-2,8-Dioxo-3A,4,5,5A,9,9A-Hexahydroazuleno[6,5-B]Furan-9-Yl] Ester; Acetic Acid [(3Ar,5S,5Ar,8Ar,9R,9Ar)-2,8-Diketo-5,8A-Dimethyl-1-Methylene-3A,4,5,5A,9,9A-Hexahydroazuleno[5,6-D]Furan-9-Yl] Ester
• Molecular Formula: C₁₇H₂₀O₅
• Molecular Weight: 304.34
• CAS Registry Number: 6895-47-2
• SMILES: [C@]23([C@H]([C@H](C[C@H]1OC(=O)C([C@H]1[C@H]2OC(=O)C)=C)C)C=CC3=O)C
• InChI: 1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11-,12+,14+,15+,17-/m0/s1
• InChIKey: DCNRYQODUSSOKC-CXKORZBMSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 466.649°C at 760 mmHg (Cal.)
• Flash point: 207.092°C (Cal.)