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

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Properties Simple | Detailed

Formula C19H21O6+
IUPAC Name [(9r,10r)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (e)-2-methylbut-2-enoate
Molecular Mass 345.366 g·mol−1
Heat of Formation -936.8 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 396.91 Å 3
Surface Area 335.57 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-methylbut-2-enoic acid [(9r,10r)-9-hydroxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester
  • (e)-2-methylbut-2-enoic acid [(9r,10r)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester
  • 2-butenoic acid, 2-methyl-, 9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2h,8h-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (9r-(9alpha,10alpha(e)))-
  • 3'-hydroxy-4'-tigloyloxy-3',4'-dihydroseslin
  • [(9r,10r)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (e)-2-methylbut-2-enoate
CAS Number(s)
  • 150135-35-6
InChIKey QPLSCFLMIOADPA-AVTSYZAUSA-N
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