3-[(2E,6E,10E)-11-Formyl-3,7,15-Trimethyl-2,6,10,14-Hexadecatetraen-1-Yl]-4,5-Dihydroxybenzoic Acid

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Formula C27H36O5
IUPAC Name 3-[(2e,6e,10e)-11-formyl-3,7,15-trimethyl-hexadeca-2,6,10,14-tetraenyl]-4,5-dihydroxy-benzoic acid
Molecular Mass 440.572 g·mol−1
Heat of Formation -884.1 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 576.31 Å 3
Surface Area 398.09 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-dihydroxy-5-[(2e,6e,10e)-11-methanoyl-3,7,15-trimethyl-hexadeca-2,6,10,14-tetraenyl]benzoic acid
  • 3-[(2e,6e,10e)-11-formyl-3,7,15-trimethyl-hexadeca-2,6,10,14-tetraenyl]-4,5-dihydroxy-benzoic acid
  • 3-[(2e,6e,10e)-11-formyl-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-4,5-dihydroxybenzoic acid
  • arieianal
InChIKey SBDYVFMWPOTKPV-JMXQUVOQSA-N
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