Kericembrenolide E

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Properties Simple | Detailed

Formula C20H28O4
IUPAC Name (3as,4s,6z,10z,12s,14z,15as)-4,12-dihydroxy-6,10,14-trimethyl-3-methylene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
Molecular Mass 332.434 g·mol−1
Heat of Formation -686.9 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 430.55 Å 3
Surface Area 346.46 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,4z,8z,10s,12z,14s)-2,10-dihydroxy-4,8,12-trimethyl-17-methylene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-16-one
  • (1s,2s,4z,8z,10s,12z,14s)-2,10-dihydroxy-4,8,12-trimethyl-17-methylidene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-16-one
  • (3as-(3ar*,4r*,6e,10e,12r*,14e,15ar*))-3a,4,5,8,9,12,13,15a-octahydro-4,12-dihydroxy-6,10,14-trimethyl-3-methylenecyclotetradeca(b)furan-2(3h)-one
  • cyclotetradeca(b)furan-2(3h)-one, 3a,4,5,8,9,12,13,15a-octahydro-4,12-dihydroxy-6,10,14-trimethyl-3-methylene-, (3as-(3ar*,4r*,6e,10e,12r*,14e,15ar*))-
CAS Number(s)
  • 104992-90-7
InChIKey KKAPMISEUVNCQQ-WOPUYNPLSA-N
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