Caulerpenyne

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Properties Simple | Detailed

Formula C21H26O6
IUPAC Name [(1e,3z,4s,6e)-4-acetoxy-3-(acetoxymethylene)-7,11-dimethyl-dodeca-1,6,10-trien-8-ynyl] acetate
Molecular Mass 374.428 g·mol−1
Heat of Formation -822.4 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 483.02 Å 3
Surface Area 398.1 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (s-(z,e,e))-3-((acetyloxy)methylene)-7,11-dimethyl-1,6,10-dodecatrien-8-yne-1,4-diol diacetate
  • 1,6,10-dodecatrien-8-yne-1,4-diol, 3-((acetyloxy)methylene)-7,11-dimethyl-, diacetate, (1e,3z,4s,6e)-
  • 1,6,10-dodecatrien-8-yne-1,4-diol, 3-((acetyloxy)methylene)-7,11-dimethyl-, diacetate, (s-(z,e,e))-
  • 3-((acetyloxy)methylene)-7,11-dimethyl-1,6,10-dodecatrien-8-yne-1,4-diol diacetate
  • [(1e,3z,4s,6e)-4-acetoxy-3-(acetoxymethylene)-7,11-dimethyl-dodeca-1,6,10-trien-8-ynyl] acetate
  • [(1e,3z,4s,6e)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyl-dodeca-1,6,10-trien-8-ynyl] ethanoate
  • [(1e,3z,4s,6e)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-1,6,10-trien-8-ynyl] acetate
  • acetic acid [(1e,3z,4s,6e)-4-acetoxy-3-(acetoxymethylene)-7,11-dimethyl-dodeca-1,6,10-trien-8-ynyl] ester
  • acetic acid [(1e,3z,4s,6e)-4-acetoxy-3-(acetoxymethylene)-7,11-dimethyldodeca-1,6,10-trien-8-ynyl] ester
CAS Number(s)
  • 70000-22-5
InChIKey INZBEAIXTUMDIW-WXBLODKZSA-N
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