(9R,10R)-8,8-Dimethyl-10-[(3-Methylbutanoyl)Oxy]-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 C24H29O7+
IUPAC Name [(9r,10r)-8,8-dimethyl-10-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (z)-2-methylbut-2-enoate
Molecular Mass 429.483 g·mol−1
Heat of Formation -1175.1 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 520.18 Å 3
Surface Area 401.65 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-praeruptorin e
  • (z)-2-methylbut-2-enoic acid [(9r,10r)-10-isovaleryloxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester
  • (z)-2-methylbut-2-enoic acid [(9r,10r)-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester
  • [(9r,10r)-8,8-dimethyl-10-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] (z)-2-methylbut-2-enoate
CAS Number(s)
  • 83382-71-2
InChIKey UFUVJROSOIXJGR-IULGZIFLSA-N
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