(6R,7R)-8,8-Dimethyl-2-Oxo-7,8-Dihydro-2H,6H-Pyrano[3,2-G]Chromene-6,7-Diyl (2Z,2'E)Bis(2-Methyl-2-Butenoate)

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Properties Simple | Detailed

Formula C24H26O7
IUPAC Name [(3r,4r)-2,2-dimethyl-3-[(e)-2-methylbut-2-enoyl]oxy-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] (z)-2-methylbut-2-enoate
Molecular Mass 426.459 g·mol−1
Heat of Formation -1111.9 ± 16.7 kJ·mol−1
Dipole Moment 9.64 ± 1.08 D
Volume 508.13 Å 3
Surface Area 401.69 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(6r,7r)-2-keto-8,8-dimethyl-7-[(e)-2-methylbut-2-enoyl]oxy-6,7-dihydropyrano[5,6-g]chromen-6-yl] ester
  • (z)-2-methylbut-2-enoic acid [(6r,7r)-8,8-dimethyl-7-[(e)-2-methyl-1-oxobut-2-enoxy]-2-oxo-6,7-dihydropyrano[5,6-g]chromen-6-yl] ester
  • 2-butenoic acid, 2-methyl-, 7,8-dihydro-8,8-dimethyl-2-oxo-2h,6h-benzo(1,2-b:5,4-b')dipyran-6,7-diyl ester, (6r-(6alpha(z),7alpha(z)))-
  • [(6r,7r)-8,8-dimethyl-7-[(e)-2-methylbut-2-enoyl]oxy-2-oxo-6,7-dihydropyrano[5,6-g]chromen-6-yl] (z)-2-methylbut-2-enoate
  • xanthalin
CAS Number(s)
  • 21800-48-6
InChIKey LBKPHBYDOWPFMZ-ACVPTOMQSA-N
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