(3Ar,6Z,10Z,12S,14Z,15As)-6,10,14-Trimethyl-3-Methylene-2-Oxo-2,3,3A,4,5,8,9,12,13,15A-Decahydrocyclotetradeca[B]Furan-12-Yl Acetate

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Formula C22H30O4
IUPAC Name [(3ar,6z,10z,12s,14z,15as)-6,10,14-trimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
Molecular Mass 358.471 g·mol−1
Heat of Formation -712.4 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 463.18 Å 3
Surface Area 370.39 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar-(3ar*,6e,10e,12s*,14e,15as*))-12-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylenecyclotetradeca(b)furan-2(3h)-one
  • [(1r,4z,8z,10s,12z,14s)-4,8,12-trimethyl-17-methylene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-10-yl] acetate
  • [(1r,4z,8z,10s,12z,14s)-4,8,12-trimethyl-17-methylidene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-10-yl] acetate
  • [(1r,4z,8z,10s,12z,14s)-4,8,12-trimethyl-17-methylidene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-10-yl] ethanoate
  • acetic acid [(1r,4z,8z,10s,12z,14s)-16-keto-4,8,12-trimethyl-17-methylene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-10-yl] ester
  • acetic acid [(1r,4z,8z,10s,12z,14s)-4,8,12-trimethyl-17-methylene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-10-yl] ester
  • cyclotetradeca(b)furan-2(3h)-one, 12-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-, (3ar-(3ar*,6e,10e,12s*,14e,15as*))-
  • kericembrenolide a
CAS Number(s)
  • 104992-94-1
InChIKey QPGQFHSQSJTROZ-ZRGOFDNFSA-N
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