(1R,4Ar,6Ar,6Bs,7Ar,8Ar)-7A-Methyl-2-Oxo-4A,6A,6B,7,7A,8-Hexahydro-4H-Spiro[Cyclopropa[4,5]Pentaleno[1,6A-C]Pyran-1,2'-Oxirane]-5-Carboxylic Acid

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Formula C15H16O5
IUPAC Name (1r,4ar,6ar,6bs,7ar,8ar)-7a-methyl-2-oxo-4a,6a,6b,7,7a,8-hexahydro-4h-spiro[cyclopropa[4,5]pentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid
Molecular Mass 276.285 g·mol−1
Heat of Formation -603.6 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 314.28 Å 3
Surface Area 261.3 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • pentalenolactone p
  • spiro(4h-cyclopropa(4,5)pentaleno(1,6a-c)pyran-1(2h),2'-oxirane)-5-carboxylic acid, 4a,6a,6b,7,7a,8-hexahydro-7a-methyl-2-oxo-, (1r-(1alpha,4aalpha,6abeta,6bbeta,7abeta,8ar*))-
CAS Number(s)
  • 93361-68-3
InChIKey QZXYENXDDHSXAD-KRFMCOFKSA-N
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