(3Ar,4R,6Z,10Z,12R,14Z,15Ar)-6,10,14-Trimethyl-3-Methylene-2-Oxo-2,3,3A,4,5,8,9,12,13,15A-Decahydrocyclotetradeca[B]Furan-4,12-Diyl Diacetate

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Properties Simple | Detailed

Formula C24H32O6
IUPAC Name [(3ar,4r,6z,10z,12r,14z,15ar)-4-acetoxy-6,10,14-trimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
Molecular Mass 416.507 g·mol−1
Heat of Formation -1085.1 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 528.57 Å 3
Surface Area 402.85 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,4z,8z,10r,12z,14r)-10-acetoxy-4,8,12-trimethyl-17-methylene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-2-yl] acetate
  • [(1r,2r,4z,8z,10r,12z,14r)-10-acetyloxy-4,8,12-trimethyl-17-methylidene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-2-yl] acetate
  • [(1r,2r,4z,8z,10r,12z,14r)-10-acetyloxy-4,8,12-trimethyl-17-methylidene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-2-yl] ethanoate
  • acetic acid [(1r,2r,4z,8z,10r,12z,14r)-10-acetoxy-16-keto-4,8,12-trimethyl-17-methylene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-2-yl] ester
  • acetic acid [(1r,2r,4z,8z,10r,12z,14r)-10-acetoxy-4,8,12-trimethyl-17-methylene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-2-yl] ester
  • cyclotetradeca(b)furan-2(3h)-one, 4,12-bis(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-, (3as-(3ar*,4r*,6e,10e,12r*,14e,15ar*))-
  • kericembrenolide c
CAS Number(s)
  • 104992-92-9
InChIKey GBKNBSOFIBRPBO-OQGHAVHMSA-N
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