(9R,10R)-10-Acetoxy-8,8-Dimethyl-2-Oxo-9,10-Dihydro-2H,8H-Pyrano[2,3-F]Chromen-9-Yl (2Z)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C21H23O7+
IUPAC Name [(9r,10r)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (z)-2-methylbut-2-enoate
Molecular Mass 387.403 g·mol−1
Heat of Formation -1118.0 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 448.87 Å 3
Surface Area 365.36 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(9r,10r)-10-acetoxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester
  • (z)-2-methylbut-2-enoic acid [(9r,10r)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester
  • [(9r,10r)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] (z)-2-methylbut-2-enoate
  • [(9r,10r)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] (z)-2-methylbut-2-enoate
InChIKey XGPBRZDOJDLKOT-YRCPKEQFSA-N
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