(3Ar,4S,11S,11As)-11-Hydroxy-6,10-Dimethyl-3-Methylene-2,8-Dioxo-2,3,3A,4,5,8,11,11A-Octahydrocyclodeca[B]Furan-4-Yl Methacrylate

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Properties Simple | Detailed

Formula C19H22O6
IUPAC Name [(3ar,4s,6z,9z,11s,11as)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3ah-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Molecular Mass 346.374 g·mol−1
Heat of Formation -898.3 ± 16.7 kJ·mol−1
Dipole Moment 9.02 ± 1.08 D
Volume 412.09 Å 3
Surface Area 325.74 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylacrylic acid [(3ar,4s,6z,9z,11s,11as)-11-hydroxy-2,8-diketo-6,10-dimethyl-3-methylene-4,5,11,11a-tetrahydro-3ah-cyclodeca[d]furan-4-yl] ester
  • 2-methylprop-2-enoic acid [(3ar,4s,6z,9z,11s,11as)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3ah-cyclodeca[b]furan-4-yl] ester
  • 2-propenoic acid, 2-methyl-, 2,3,3a,4,5,8,11,11a-octahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxocyclodeca(b)furan-4-yl ester, (3ar-(3ar*,4s*,6e,9z,11s*,11as*))-
  • [(3ar,4s,6z,9z,11s,11as)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3ah-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
  • [(3ar,4s,6z,9z,11s,11as)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3ah-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
InChIKey LXINRHXYVUTAMQ-UESFRTJTSA-N
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