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

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Properties Simple | Detailed

Formula C19H24O6
IUPAC Name [(3ar,4s,5s,6e,10z,11ar)-6-formyl-4-hydroxy-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
Molecular Mass 348.390 g·mol−1
Heat of Formation -964.8 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 421.81 Å 3
Surface Area 342.92 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid [(3ar,4s,5s,6e,10z,11ar)-6-formyl-4-hydroxy-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] ester
  • 2-methylpropionic acid [(3ar,4s,5s,6e,10z,11ar)-6-formyl-4-hydroxy-2-keto-10-methyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-5-yl] ester
  • [(3ar,4s,5s,6e,10z,11ar)-4-hydroxy-6-methanoyl-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
  • [(3ar,4s,5s,6e,10z,11ar)-6-formyl-4-hydroxy-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
  • [(3ar,4s,5s,6e,10z,11ar)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
  • propanoic acid, 2-methyl-, 6-formyl-2,3,3a,4,5,8,9,11a-octahydro-4-hydroxy-10-methyl-3-methylene-2-oxocyclodeca(b)furan-5-yl ester, (3ar-(3ar*,4s*,5s*,6e,10e,11ar*))-
InChIKey MWYCMNPDBWRCKB-VRPNJRMNSA-N
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