(3Ar,6E,10Z,14E,15Ar)-6,14-Dimethyl-3-Methylene-2-Oxo-2,3,3A,4,5,8,9,12,13,15A-Decahydrocyclotetradeca[B]Furan-10-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H26O4
IUPAC Name (3ar,6e,10z,14e,15ar)-6,14-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
Molecular Mass 330.418 g·mol−1
Heat of Formation -660.7 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 423.32 Å 3
Surface Area 338.15 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4e,8z,12e,14r)-16-keto-4,12-dimethyl-17-methylene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-triene-8-carboxylic acid
  • (1r,4e,8z,12e,14r)-4,12-dimethyl-17-methylene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-triene-8-carboxylic acid
  • (1r,4e,8z,12e,14r)-4,12-dimethyl-17-methylidene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-triene-8-carboxylic acid
  • lobohedleolide
InChIKey SORYERHBQFTRIK-XAVJKDHNSA-N
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