(7R,8R)-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethyl-1,3-Heptadien-1-Yl]-7,8-Dihydroxy-7-Methyl-7,8-Dihydro-6H-Isochromen-6-One

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Properties Simple | Detailed

Formula C19H23ClO4
IUPAC Name (7r,8r)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8h-isochromen-6-one
Molecular Mass 350.837 g·mol−1
Heat of Formation -605.3 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 421.09 Å 3
Surface Area 371.48 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8r)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8h-isochromen-6-one
  • 6h-2-benzopyran-6-one, 5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7,8-dihydroxy-7-methyl
  • isochromophilone v
CAS Number(s)
  • 167355-56-8
InChIKey ZFOBGKZKFOAYTR-ZZSXOZOGSA-N
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