[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-Trimethyl-2,8-Dioxo-3a,4,5,5a,9,9a-Hexahydro-1H-Azuleno[6,5-b]Furan-9-Yl] Acetate
[CAS# 36505-53-0]

Identification

• Name: [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-Trimethyl-2,8-Dioxo-3a,4,5,5a,9,9a-Hexahydro-1H-Azuleno[6,5-b]Furan-9-Yl] Acetate
• Synonyms: Acetic Acid [(1S,3Ar,5R,5Ar,8Ar,9S,9Ar)-1,5,8A-Trimethyl-2,8-Dioxo-3A,4,5,5A,9,9A-Hexahydro-1H-Azuleno[6,5-B]Furan-9-Yl] Ester; Acetic Acid [(1S,3Ar,5R,5Ar,8Ar,9S,9Ar)-2,8-Diketo-1,5,8A-Trimethyl-3A,4,5,5A,9,9A-Hexahydro-1H-Azuleno[5,6-D]Furan-9-Yl] Ester; [(1S,3Ar,5R,5Ar,8Ar,9S,9Ar)-1,5,8A-Trimethyl-2,8-Dioxo-3A,4,5,5A,9,9A-Hexahydro-1H-Azuleno[6,5-B]Furan-9-Yl] Ethanoate
• Molecular Formula: C₁₇H₂₂O₅
• Molecular Weight: 306.36
• CAS Registry Number: 36505-53-0
• SMILES: [C@@]23([C@H]([C@H]1[C@H](OC([C@H]1C)=O)C[C@H]([C@@H]2C=CC3=O)C)OC(=O)C)C
• InChI: 1S/C17H22O5/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/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9+,11+,12-,14-,15+,17+/m1/s1
• InChIKey: NEIIKBWBBCJSQU-HESYKRBGSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 455.758°C at 760 mmHg (Cal.)
• Flash point: 201.559°C (Cal.)