[(3aS,5R,5aR,8aR,9S,9aR)-5,8a-Dimethyl-1-Methylidene-2,8-Dioxo-3a,4,5,5a,9,9a-Hexahydroazuleno[6,5-b]Furan-9-Yl] Acetate
[CAS# 3668-14-2]

Identification

• Name: [(3aS,5R,5aR,8aR,9S,9aR)-5,8a-Dimethyl-1-Methylidene-2,8-Dioxo-3a,4,5,5a,9,9a-Hexahydroazuleno[6,5-b]Furan-9-Yl] Acetate
• Synonyms: [(3As,5R,5Ar,8Ar,9S,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 [(3As,5R,5Ar,8Ar,9S,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 [(3As,5R,5Ar,8Ar,9S,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: 3668-14-2
• SMILES: [C@@]23([C@H]([C@@H]1C(C(=O)O[C@H]1C[C@H]([C@@H]2C=CC3=O)C)=C)OC(=O)C)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+/m1/s1
• InChIKey: DCNRYQODUSSOKC-MMLVVLEOSA-N

Properties

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