(3Ar,4S,6E,9Z,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,6e,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 -883.2 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 415.04 Å 3
Surface Area 336.19 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylacrylic acid [(3ar,4s,6e,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,6e,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
  • [(3ar,4s,6e,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,6e,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
  • molephantin
CAS Number(s)
  • 50656-66-1
InChIKey LXINRHXYVUTAMQ-UKKSPWLWSA-N
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