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

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Properties Simple | Detailed

Formula C21H22O7
IUPAC Name [(9r,10r)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (z)-2-methylbut-2-enoate
Molecular Mass 386.395 g·mol−1
Heat of Formation -1112.4 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 457.93 Å 3
Surface Area 359.29 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(9r,10r)-9-acetoxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester
  • (z)-2-methylbut-2-enoic acid [(9r,10r)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester
  • 2-butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2h,8h-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (9r-(9alpha,10alpha(z)))-
  • 2-butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2h,8h-benzo(1,2-b:3- ,4-b')dipyran-10-yl ester, (9r-(9alpha,10alpha(z)))-
  • [(9r,10r)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (z)-2-methylbut-2-enoate
  • [(9r,10r)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] (z)-2-methylbut-2-enoate
  • pteryxin
CAS Number(s)
  • 17944-23-9
  • 13161-75-6
InChIKey LYUZYPKZQDYMEE-YRCPKEQFSA-N
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