(3As,4S,6Z,10Z,12S,14Z,15As)-4-Hydroxy-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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Properties Simple | Detailed

Formula C22H30O5
IUPAC Name [(3as,4s,6z,10z,12s,14z,15as)-4-hydroxy-6,10,14-trimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
Molecular Mass 374.471 g·mol−1
Heat of Formation -886.9 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 481.14 Å 3
Surface Area 376.78 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3as-(3ar*,4r*,6e,10e,12r*,14e,15ar*))-12-(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-4-hydroxy-6,10,14-trimethyl-3-methylenecyclotetradeca(b)furan-2(3h)-one
  • [(1s,2s,4z,8z,10s,12z,14s)-2-hydroxy-4,8,12-trimethyl-17-methylene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-10-yl] acetate
  • [(1s,2s,4z,8z,10s,12z,14s)-2-hydroxy-4,8,12-trimethyl-17-methylidene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-10-yl] acetate
  • [(1s,2s,4z,8z,10s,12z,14s)-2-hydroxy-4,8,12-trimethyl-17-methylidene-16-oxo-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-10-yl] ethanoate
  • acetic acid [(1s,2s,4z,8z,10s,12z,14s)-2-hydroxy-16-keto-4,8,12-trimethyl-17-methylene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-10-yl] ester
  • acetic acid [(1s,2s,4z,8z,10s,12z,14s)-2-hydroxy-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-4-hydroxy-6,10,14-trimethyl-3-methylene-, (3as-(3ar*,4r*,6e,10e,12r*,14e,15ar*))-
  • kericembrenolide d
CAS Number(s)
  • 104992-91-8
InChIKey ZDQJJRBIBRHMDH-AXAPCXTGSA-N
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