(7S,8R)-8-Isobutyl-8-Methyl-3-(2-Methyl-3-Buten-2-Yl)-2-Oxo-7,8-Dihydro-2H,6H-Pyrano[3,2-G]Chromen-7-Yl Acetate

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Properties Simple | Detailed

Formula C24H30O5
IUPAC Name [(2r,3s)-7-(1,1-dimethylallyl)-2-isobutyl-2-methyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate
Molecular Mass 398.492 g·mol−1
Heat of Formation -842.3 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 493.0 Å 3
Surface Area 406.56 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2h,6h-benzo(1,2-b:5,4-b')dipyran-2-one, 7-(acetyloxy)-3-(1,1-dimethyl-2-propenyl)-7,8-dihydro-8-methyl-8-(2-methylpropyl)-, trans-
  • [(7s,8r)-3-(1,1-dimethylprop-2-enyl)-8-isobutyl-8-methyl-2-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] acetate
  • [(7s,8r)-8-methyl-3-(2-methylbut-3-en-2-yl)-8-(2-methylpropyl)-2-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] acetate
  • [(7s,8r)-8-methyl-3-(2-methylbut-3-en-2-yl)-8-(2-methylpropyl)-2-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ethanoate
  • acetic acid [(7s,8r)-3-(1,1-dimethylprop-2-enyl)-8-isobutyl-2-keto-8-methyl-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester
  • acetic acid [(7s,8r)-3-(1,1-dimethylprop-2-enyl)-8-isobutyl-8-methyl-2-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester
  • shijiaocaolactone a
CAS Number(s)
  • 122739-12-2
InChIKey MAFRBYJWZZFXHI-XUZZJYLKSA-N
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