(3aS,6S,6aS,9aR,9bR)-6,9a-Dimethyl-3-Methylidene-3a,4,5,6,6a,7,8,9b-Octahydroazuleno[7,8-D]Furan-2,9-Dione
[CAS# 1216-42-8]

Identification

• Name: (3aS,6S,6aS,9aR,9bR)-6,9a-Dimethyl-3-Methylidene-3a,4,5,6,6a,7,8,9b-Octahydroazuleno[7,8-D]Furan-2,9-Dione
• Synonyms: (3As,6S,6As,9Ar,9Br)-6,9A-Dimethyl-3-Methylene-3A,4,5,6,6A,7,8,9B-Octahydroazuleno[7,8-D]Furan-2,9-Dione; (3As,6S,6As,9Ar,9Br)-6,9A-Dimethyl-3-Methylene-3A,4,5,6,6A,7,8,9B-Octahydroazuleno[7,8-D]Furan-2,9-Quinone; Nsc85249
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32
• CAS Registry Number: 1216-42-8
• SMILES: [C@@]23([C@@H]1OC(=O)C([C@@H]1CC[C@@H]([C@@H]2CCC3=O)C)=C)C
• InChI: 1S/C15H20O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1
• InChIKey: HPJYKMSFRBJOSW-JHSUYXJUSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 407.332°C at 760 mmHg (Cal.)
• Flash point: 181.42°C (Cal.)