(3aS,5S,5aS,9aR)-5,8-Dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[5,6-d]furan-2,7-dione
[CAS# 65017-97-2]

Identification

• Name: (3aS,5S,5aS,9aR)-5,8-Dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[5,6-d]furan-2,7-dione
• Synonyms: (3As,5S,5As,9Ar)-5,8-Dimethyl-1-Methylene-4,5,5A,6,9,9A-Hexahydro-3Ah-Azuleno[5,6-D]Furan-2,7-Dione; (3As,5S,5As,9Ar)-5,8-Dimethyl-1-Methylene-4,5,5A,6,9,9A-Hexahydro-3Ah-Azuleno[5,6-D]Furan-2,7-Quinone; Acon0_000308
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.31
• CAS Registry Number: 65017-97-2
• SMILES: [C@H]13C(=C(C(=O)C1)C)C[C@@H]2C(C(=O)O[C@H]2C[C@@H]3C)=C
• InChI: 1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10-,12+,14-/m0/s1
• InChIKey: UQNONRHPSCIIJO-BNYHBGRESA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 446.273°C at 760 mmHg (Cal.)
• Flash point: 200.653°C (Cal.)