(3As,4R,4Ar,8Ar,9As)-4-Hydroxy-3,5-Bis(Methylene)-8A-Vinyloctahydro-2H-Furo[3,2-G]Isochromene-2,6(3H)-Dione

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Properties Simple | Detailed

Formula C15H16O5
IUPAC Name (3as,4r,4ar,8ar,9as)-4-hydroxy-3,5-dimethylene-8a-vinyl-3a,4,4a,8,9,9a-hexahydrofuro[3,2-g]isochromene-2,6-dione
Molecular Mass 276.285 g·mol−1
Heat of Formation -620.3 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 319.4 Å 3
Surface Area 269.19 Å 2
HOMO Energy -10.62 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,4r,4ar,8ar,9as)-4-hydroxy-3,5-dimethylene-8a-vinyl-3a,4,4a,8,9,9a-hexahydropyrano[4,5-f]benzofuran-2,6-dione
  • (3as,4r,4ar,8ar,9as)-4-hydroxy-3,5-dimethylene-8a-vinyl-3a,4,4a,8,9,9a-hexahydropyrano[4,5-f]benzofuran-2,6-quinone
  • (3as,4r,4ar,8ar,9as)-8a-ethenyl-4-hydroxy-3,5-dimethylidene-3a,4,4a,8,9,9a-hexahydrofuro[4,5-g]isochromene-2,6-dione
  • vernomenin
CAS Number(s)
  • 20107-26-0
InChIKey OLUMHNYQQSDTDB-MVIRXUPPSA-N
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