(3E,3Ar,5S,8Bs)-5-Hydroxy-8,8-Dimethyl-3-({[(2R)-4-Methyl-5-Oxo-2,5-Dihydro-2-Furanyl]Oxy}Methylene)-3,3A,4,5,6,7,8,8B-Octahydro-2H-Indeno[1,2-B]Furan-2-One

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Properties Simple | Detailed

Formula C19H22O6
IUPAC Name (3e,3ar,5s,8bs)-5-hydroxy-8,8-dimethyl-3-[[(2r)-4-methyl-5-oxo-2h-furan-2-yl]oxymethylene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
Molecular Mass 346.374 g·mol−1
Heat of Formation -919.0 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 404.36 Å 3
Surface Area 343.57 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,3ar,5s,8bs)-5-hydroxy-3-[[(2r)-5-keto-4-methyl-2h-furan-2-yl]oxymethylene]-8,8-dimethyl-3a,4,5,6,7,8b-hexahydroindeno[2,1-d]furan-2-one
  • (3e,3ar,5s,8bs)-5-hydroxy-8,8-dimethyl-3-[[(2r)-4-methyl-5-oxo-2h-furan-2-yl]oxymethylene]-3a,4,5,6,7,8b-hexahydroindeno[2,1-d]furan-2-one
  • (3e,3ar,5s,8bs)-5-hydroxy-8,8-dimethyl-3-[[(2r)-4-methyl-5-oxo-2h-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[2,1-d]furan-2-one
CAS Number(s)
  • 11017-56-4
InChIKey VOFXXOPWCBSPAA-KCNJUGRMSA-N
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