3-Hydroxy-5-Methoxy-4-{[(2E,6E)-3,7,11-Trimethyl-2,6,10-Dodecatrien-1-Yl]Oxy}Phthalaldehyde

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Properties Simple | Detailed

Formula C24H32O5
IUPAC Name 3-hydroxy-5-methoxy-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde
Molecular Mass 400.508 g·mol−1
Heat of Formation -754.4 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 520.9 Å 3
Surface Area 377.7 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenedicarboxaldehyde, 3-hydroxy-5-methoxy-4-((3,7,11-trimethyl-2,6,10-dodecatrienyl)oxy)-, (e,e)-
  • 3-hydroxy-5-methoxy-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde
  • asperugin
CAS Number(s)
  • 2102-72-9
InChIKey HWVGIDRLIKEBPS-UBIAKTOFSA-N
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