(7S,8S)-5-Chloro-3-[(1E,3E)-3,5-Dimethylhepta-1,3-Dienyl]-7,8-Dihydroxy-7-Methyl-8H-Isochromen-6-One
[CAS# 119993-48-5]

Identification

• Name: (7S,8S)-5-Chloro-3-[(1E,3E)-3,5-Dimethylhepta-1,3-Dienyl]-7,8-Dihydroxy-7-Methyl-8H-Isochromen-6-One
• Synonyms: 6H-2-Benzopyran-6-One, 5-Chloro-3-(3,5-Dimethyl-1,3-Heptadienyl)-7,8-Dihydro-7,8-Dihydroxy-7-Methyl-, Trans-; Tl 1; Tl-1
• Molecular Formula: C₁₉H₂₃ClO₄
• Molecular Weight: 350.84
• CAS Registry Number: 119993-48-5
• SMILES: [C@@H]2(C1=COC(=CC1=C(C([C@@]2(C)O)=O)Cl)\C=C\C(=C\C(CC)C)C)O
• InChI: 1S/C19H23ClO4/c1-5-11(2)8-12(3)6-7-13-9-14-15(10-24-13)17(21)19(4,23)18(22)16(14)20/h6-11,17,21,23H,5H2,1-4H3/b7-6+,12-8+/t11?,17-,19-/m0/s1
• InChIKey: ZFOBGKZKFOAYTR-COSBXKIPSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 492.386°C at 760 mmHg (Cal.)
• Flash point: 251.586°C (Cal.)