(3aR,4aR,8aS,9aR)-5,8a-Dimethyl-3-Methylidene-3a,4,4a,8,9,9a-Hexahydronaphtho[6,7-d]Furan-2,7-Dione
[CAS# 35730-85-9]

Identification

• Name: (3aR,4aR,8aS,9aR)-5,8a-Dimethyl-3-Methylidene-3a,4,4a,8,9,9a-Hexahydronaphtho[6,7-d]Furan-2,7-Dione
• Synonyms: (3Ar,4Ar,8As,9Ar)-5,8A-Dimethyl-3-Methylene-3A,4,4A,8,9,9A-Hexahydrobenzo[F]Benzofuran-2,7-Dione; (3Ar,4Ar,8As,9Ar)-5,8A-Dimethyl-3-Methylene-3A,4,4A,8,9,9A-Hexahydrobenzo[F]Benzofuran-2,7-Quinone; Nsc 85234
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.31
• CAS Registry Number: 35730-85-9
• SMILES: [C@]13([C@H](C(=CC(C1)=O)C)C[C@@H]2C(=C)C(O[C@@H]2C3)=O)C
• InChI: 1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,11-13H,2,5-7H2,1,3H3/t11-,12+,13-,15-/m1/s1
• InChIKey: VTEFIBXQBGMXNK-QVHKTLOISA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 422.976°C at 760 mmHg (Cal.)
• Flash point: 189.442°C (Cal.)