(6aR,9R,9aR)-9-Acetyl-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-6a-Methyl-9,9a-Dihydrofuro[5,4-h]Isochromene-6,8-Dione
[CAS# 154037-52-2]

Identification

• Name: (6aR,9R,9aR)-9-Acetyl-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-6a-Methyl-9,9a-Dihydrofuro[5,4-h]Isochromene-6,8-Dione
• Synonyms: (6Ar,9R,9Ar)-9-Acetyl-5-Chloro-3-[(1E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-6A-Methyl-9,9A-Dihydrofuro[5,4-H]Isochromene-6,8-Dione; (6Ar,9R,9Ar)-9-Acetyl-5-Chloro-3-[(1E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-6A-Methyl-9,9A-Dihydrofuro[5,4-H]Isochromene-6,8-Quinone; (6Ar,9R,9Ar)-9-Acetyl-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-6A-Methyl-9,9A-Dihydrofuro[5,4-H]Isochromene-6,8-Quinone
• Molecular Formula: C₂₃H₂₅ClO₅
• Molecular Weight: 416.90
• CAS Registry Number: 154037-52-2
• SMILES: [C@@H]12[C@@](OC(=O)[C@H]1C(=O)C)(C(=O)C(=C3C2=COC(=C3)\C=C\C(=C\[C@H](CC)C)C)Cl)C
• InChI: 1S/C23H25ClO5/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/h7-12,18-19H,6H2,1-5H3/b8-7+,13-9+/t12-,18-,19-,23+/m0/s1
• InChIKey: BFKHRJFETIBYAU-WJKJBVSTSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 583.185°C at 760 mmHg (Cal.)
• Flash point: 204.66°C (Cal.)