(3aS,6S,6aS,7R,9aR,9bR)-7-Hydroxy-6,9a-Dimethyl-3-Methylidene-3a,4,5,6,6a,7,8,9b-Octahydroazuleno[7,8-d]Furan-2,9-Dione
[CAS# 33649-13-7]

Identification

• Name: (3aS,6S,6aS,7R,9aR,9bR)-7-Hydroxy-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,7R,9Ar,9Br)-7-Hydroxy-6,9A-Dimethyl-3-Methylene-3A,4,5,6,6A,7,8,9B-Octahydroazuleno[7,8-D]Furan-2,9-Dione; (3As,6S,6As,7R,9Ar,9Br)-7-Hydroxy-6,9A-Dimethyl-3-Methylene-3A,4,5,6,6A,7,8,9B-Octahydroazuleno[7,8-D]Furan-2,9-Quinone
• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.32
• CAS Registry Number: 33649-13-7
• SMILES: [C@@]23([C@@H]1OC(=O)C([C@@H]1CC[C@@H]([C@@H]2[C@H](O)CC3=O)C)=C)C
• InChI: 1S/C15H20O4/c1-7-4-5-9-8(2)14(18)19-13(9)15(3)11(17)6-10(16)12(7)15/h7,9-10,12-13,16H,2,4-6H2,1,3H3/t7-,9-,10+,12+,13+,15+/m0/s1
• InChIKey: WFMZXKFPRCNRAW-ICJWCHSRSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 457.899°C at 760 mmHg (Cal.)
• Flash point: 172.32°C (Cal.)