(3As,4S,5R,6Z,10Z,11Ar)-3A,4-Dihydroxy-6,10-Dimethyl-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 C19H26O6
IUPAC Name [(3as,4s,5r,6z,10z,11ar)-3a,4-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-5,8,9,11a-tetrahydro-4h-cyclodeca[b]furan-5-yl] 2-methylpropanoate
Molecular Mass 350.406 g·mol−1
Heat of Formation -1042.6 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 426.84 Å 3
Surface Area 340.43 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid [(3as,4s,5r,6z,10z,11ar)-3a,4-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-5,8,9,11a-tetrahydro-4h-cyclodeca[b]furan-5-yl] ester
  • 2-methylpropionic acid [(3as,4s,5r,6z,10z,11ar)-3a,4-dihydroxy-2-keto-6,10-dimethyl-3-methylene-5,8,9,11a-tetrahydro-4h-cyclodeca[b]furan-5-yl] ester
  • [(3as,4s,5r,6z,10z,11ar)-3a,4-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-5,8,9,11a-tetrahydro-4h-cyclodeca[b]furan-5-yl] 2-methylpropanoate
  • [(3as,4s,5r,6z,10z,11ar)-3a,4-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-5,8,9,11a-tetrahydro-4h-cyclodeca[b]furan-5-yl] 2-methylpropanoate
  • leucanthanolide
  • propanoic acid, 2-methyl-, 2,3,3a,4,5,8,9,11a-octahydro-3a,4-dihydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-5-yl ester, (3as-(3ar*,4r*,5s*,6e,10e,11as*))-
CAS Number(s)
  • 103425-50-9
InChIKey FZIMMWCUIWUUCH-DBXYASOBSA-N
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