(7R,8R)-5-Chloro-3-[(1E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-7-Hydroxy-7-Methyl-8-(2-Oxopropyl)-8H-Isochromen-6-One
[CAS# 154170-71-5]

Identification

• Name: (7R,8R)-5-Chloro-3-[(1E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-7-Hydroxy-7-Methyl-8-(2-Oxopropyl)-8H-Isochromen-6-One
• Synonyms: (7R,8R)-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-7-Hydroxy-7-Methyl-8-(2-Oxopropyl)-8H-Isochromen-6-One; (7R,8R)-8-Acetonyl-5-Chloro-3-[(1E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-7-Hydroxy-7-Methyl-8H-Isochromen-6-One; (7R,8R)-8-Acetonyl-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-7-Hydroxy-7-Methyl-8H-Isochromen-6-One
• Molecular Formula: C₂₂H₂₇ClO₄
• Molecular Weight: 390.91
• CAS Registry Number: 154170-71-5
• SMILES: [C@]2(O)([C@@H](C1=COC(=CC1=C(Cl)C2=O)\C=C\C(=C\[C@H](CC)C)C)CC(=O)C)C
• InChI: 1S/C22H27ClO4/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-27-16)19(10-15(4)24)22(5,26)21(25)20(17)23/h7-9,11-13,19,26H,6,10H2,1-5H3/b8-7+,14-9+/t13-,19+,22+/m0/s1
• InChIKey: QEPMTPAOVMUVBT-VOQBEJNXSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 530.614°C at 760 mmHg (Cal.)
• Flash point: 274.705°C (Cal.)