(3Ar,4R,6Z,8S,10E,11Ar)-8-Hydroxy-6-(Hydroxymethyl)-10-Methyl-3-Methylene-2-Oxo-2,3,3A,4,5,8,9,11A-Octahydrocyclodeca[B]Furan-4-Yl Methacrylate

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Properties Simple | Detailed

Formula C19H24O6
IUPAC Name [(3ar,4r,6z,8s,10e,11ar)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Molecular Mass 348.390 g·mol−1
Heat of Formation -899.4 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 419.49 Å 3
Surface Area 325.99 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylacrylic acid [(3ar,4r,6z,8s,10e,11ar)-8-hydroxy-2-keto-10-methyl-3-methylene-6-methylol-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • 2-methylprop-2-enoic acid [(3ar,4r,6z,8s,10e,11ar)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • [(3ar,4r,6z,8s,10e,11ar)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
  • [(3ar,4r,6z,8s,10e,11ar)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
InChIKey PFYGZFNFCAIMPK-ROYNZRMPSA-N
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