(3Ar,4R,5R,6As)-2-Oxo-4-[(1E)-3-Oxo-1-Octen-1-Yl]Hexahydro-2H-Cyclopenta[B]Furan-5-Yl Benzoate

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Properties Simple | Detailed

Formula C22H26O5
IUPAC Name [(3ar,4r,5r,6as)-2-oxo-4-[(e)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
Molecular Mass 370.439 g·mol−1
Heat of Formation -838.2 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 461.95 Å 3
Surface Area 382.15 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (1-4)beta-(3'-oxo-octen-1')-5alpha-benzoyloxy-3,3abeta,4,5,6,6abeta-hexahydro-2h-cyclopenta(b)furan-2-one
  • 2h-cyclopenta(b)furan-2-one, 5-(benzoyloxy)hexahydro-4-(3-oxo-1-octenyl)-, (3ar-(3aalpha,4alpha(e),5beta,6aalpha))-
  • 5-(benzoyloxy)-3,3a,4,5,6,6a-hexahydro-4-(3-oxo-1-octenyl)-2h-cyclopenta(b)furan-2-one
  • [(3ar,4r,5r,6as)-2-oxo-4-[(e)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
  • benzoic acid [(3ar,4r,5r,6as)-2-keto-4-[(e)-3-ketooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] ester
  • benzoic acid [(3ar,4r,5r,6as)-2-oxo-4-[(e)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] ester
  • bhoocfo
CAS Number(s)
  • 40834-86-4
InChIKey OCWSJGXEQPXXSZ-QSQWMDCWSA-N
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