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

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Properties Simple | Detailed

Formula C16H17O6+
IUPAC Name [(9s,10s)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] acetate
Molecular Mass 305.303 g·mol−1
Heat of Formation -954.6 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 340.41 Å 3
Surface Area 299.05 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2h,8h-benzo(1,2-b:3,4-b')dipyran-2-one, 9-(acetyloxy)-9,10-dihydro-10-hydroxy-8,8-dimethyl-, (9s-cis)-
  • [(9s,10s)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] acetate
  • [(9s,10s)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] ethanoate
  • acetic acid [(9s,10s)-10-hydroxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester
  • acetic acid [(9s,10s)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester
CAS Number(s)
  • 152615-14-0
InChIKey WGBFEDHNTNVZGG-ZFWWWQNUSA-N
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