(S)-9-Acetyl-5-Chloro-3-[(S,2E,4E)-3,5-Dimethyl-1,3-Heptadienyl]-6alpha-Methyl-6H-Furo[2,3-h][2]Benzopyran-6,8(6aH)-Dione
[CAS# 28763-04-4]

Identification

• Name: (S)-9-Acetyl-5-Chloro-3-[(S,2E,4E)-3,5-Dimethyl-1,3-Heptadienyl]-6alpha-Methyl-6H-Furo[2,3-h][2]Benzopyran-6,8(6aH)-Dione
• Synonyms: (6As)-9-Acetyl-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-6A-Methyl-Furo[5,4-H]Isochromene-6,8-Dione; (6As)-9-Acetyl-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-6A-Methyl-Furo[5,4-H]Isochromene-6,8-Quinone; (6As)-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-9-Ethanoyl-6A-Methyl-Furo[5,4-H]Isochromene-6,8-Dione
• Molecular Formula: C₂₃H₂₃ClO₅
• Molecular Weight: 414.88
• CAS Registry Number: 28763-04-4
• SMILES: [C@@]13(OC(=O)C(=C1C2=COC(=CC2=C(Cl)C3=O)\C=C\C(=C\[C@H](CC)C)C)C(=O)C)C
• InChI: 1S/C23H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-28-15)19-18(14(4)25)22(27)29-23(19,5)21(26)20(16)24/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,23-/m0/s1
• InChIKey: QJSWSNAZIVGTFZ-NPQXMUAYSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 585.898°C at 760 mmHg (Cal.)
• Flash point: 207.73°C (Cal.)