6,8(2H,7H)-Isoquinolinedione, 7-(Acetyloxy)-5-Chloro-3-((1E,3E,5S)-3,5-Dimethyl-1,3-Heptadienyl)-2-(2-Hydroxyethyl)-7-Methyl-, (7R)-

Molecule SVG Image

Properties Simple | Detailed

Formula C23H28ClNO5
IUPAC Name [(7r)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-1,4-dihydroisoquinoline-1,3,4,8a-tetraid-7-yl] acetate
Molecular Mass 433.925 g·mol−1
Heat of Formation -778.2 ± 16.7 kJ·mol−1
Dipole Moment 9.17 ± 1.08 D
Volume 528.52 Å 3
Surface Area 446.67 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 6,8(2h,7h)-isoquinolinedione, 7-(acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-2-(2-hydroxyethyl)-7-methyl-, (r-(r*,s*-(e,e)))-
  • [(7r)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-7-isoquinolyl] acetate
  • [(7r)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-isoquinolin-7-yl] ethanoate
  • [(7r)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate
  • acetic acid [(7r)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester
  • acetic acid [(7r)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-7-isoquinolyl] ester
  • fo 3216iv
  • fo-3216 vi
  • isochromophilone vi
CAS Number(s)
  • 167173-91-3
InChIKey ZQLIAKJHIRHCFA-XIIQHIPDSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl