(3Ar,4R,6R,7E,10Z,11Ar)-6-Hydroxy-6,10-Dimethyl-3-Methylene-2,9-Dioxo-2,3,3A,4,5,6,9,11A-Octahydrocyclodeca[B]Furan-4-Yl 2-Methylpropanoate

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Formula C19H24O6
IUPAC Name [(3ar,4r,6r,7e,10z,11ar)-6-hydroxy-6,10-dimethyl-3-methylene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
Molecular Mass 348.390 g·mol−1
Heat of Formation -959.6 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 430.8 Å 3
Surface Area 346.43 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid [(3ar,4r,6r,7e,10z,11ar)-6-hydroxy-6,10-dimethyl-3-methylene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] ester
  • 2-methylpropionic acid [(3ar,4r,6r,7e,10z,11ar)-6-hydroxy-2,9-diketo-6,10-dimethyl-3-methylene-3a,4,5,11a-tetrahydrocyclodeca[d]furan-4-yl] ester
  • [(3ar,4r,6r,7e,10z,11ar)-6-hydroxy-6,10-dimethyl-3-methylene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
  • [(3ar,4r,6r,7e,10z,11ar)-6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
  • megxp0_000077
InChIKey DUQSSEQKLJQACA-FESGBCJUSA-N
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