(9R,10S)-9-Hydroxy-8,8-Dimethyl-2-Oxo-9,10-Dihydro-2H,8H-Pyrano[2,3-F]Chromen-10-Yl Acetate

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Properties Simple | Detailed

Formula C16H17O6+
IUPAC Name [(9r,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate
Molecular Mass 305.303 g·mol−1
Heat of Formation -972.0 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 342.05 Å 3
Surface Area 291.83 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • [(9r,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] acetate
  • [(9r,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] ethanoate
  • acetic acid [(9r,10s)-9-hydroxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester
  • acetic acid [(9r,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester
CAS Number(s)
  • 118492-23-2
InChIKey IPUBQCBQSUVXEV-LSDHHAIUSA-N
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