(3aR,4S,6aR)-3-Methylidene-4-Octyl-4,6a-Dihydro-3aH-Furo[4,3-d]Furan-2,6-Dione
[CAS# 33644-09-6]

Identification

• Name: (3aR,4S,6aR)-3-Methylidene-4-Octyl-4,6a-Dihydro-3aH-Furo[4,3-d]Furan-2,6-Dione
• Synonyms: (3Ar,4S,6Ar)-3-Methylene-4-Octyl-4,6A-Dihydro-3Ah-Furo[4,3-D]Furan-2,6-Dione; (3Ar,4S,6Ar)-3-Methylene-4-Octyl-4,6A-Dihydro-3Ah-Furo[4,3-D]Furan-2,6-Quinone; 4-Isoavenaciolide
• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.34
• CAS Registry Number: 33644-09-6
• SMILES: [C@@H]12[C@@H](OC(=O)C1=C)C(O[C@H]2CCCCCCCC)=O
• InChI: 1S/C15H22O4/c1-3-4-5-6-7-8-9-11-12-10(2)14(16)19-13(12)15(17)18-11/h11-13H,2-9H2,1H3/t11-,12+,13+/m0/s1
• InChIKey: GSTQYRQXFPSWSH-YNEHKIRRSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 458.159°C at 760 mmHg (Cal.)
• Flash point: 235.319°C (Cal.)