12-Hydroxy-4,8,12-Trimethyl-16-Methylene-15-Oxo-14-Oxabicyclo[11.3.1]Heptadeca-4,8-Dien-2-Yl Acetate

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Properties Simple | Detailed

Formula C22H32O5
IUPAC Name [(1r,2s,4e,8z,12r,13r)-12-hydroxy-4,8,12-trimethyl-16-methylene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] acetate
Molecular Mass 376.486 g·mol−1
Heat of Formation -957.3 ± 16.7 kJ·mol−1
Dipole Moment 7.41 ± 1.08 D
Volume 479.47 Å 3
Surface Area 370.62 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 14-oxabicyclo(11.3.1)heptadeca-4,8-dien-15-one, 2-(acetyloxy)-12-hydroxy-4,8,12-trimethyl-16-methylene-, (1s-(1r*,2r*,4z,8z,12s*,13r*))-
  • [(1r,2r,5z,9e,12s,13r)-2-hydroxy-2,6,10-trimethyl-14-methylene-15-oxo-16-oxabicyclo[11.3.1]heptadeca-5,9-dien-12-yl] acetate
  • [(1r,2r,5z,9e,12s,13r)-2-hydroxy-2,6,10-trimethyl-14-methylidene-15-oxo-16-oxabicyclo[11.3.1]heptadeca-5,9-dien-12-yl] acetate
  • [(1r,2r,5z,9e,12s,13r)-2-hydroxy-2,6,10-trimethyl-14-methylidene-15-oxo-16-oxabicyclo[11.3.1]heptadeca-5,9-dien-12-yl] ethanoate
  • acetic acid [(1r,2r,5z,9e,12s,13r)-2-hydroxy-15-keto-2,6,10-trimethyl-14-methylene-16-oxabicyclo[11.3.1]heptadeca-5,9-dien-12-yl] ester
  • acetic acid [(1r,2r,5z,9e,12s,13r)-2-hydroxy-2,6,10-trimethyl-14-methylene-15-oxo-16-oxabicyclo[11.3.1]heptadeca-5,9-dien-12-yl] ester
InChIKey WMGWWFHPPNGBBT-VJEIWDKASA-N
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