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

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Properties Simple | Detailed

Formula C23H30O5
IUPAC Name 3,5-dihydroxy-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde
Molecular Mass 386.481 g·mol−1
Heat of Formation -759.0 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 500.76 Å 3
Surface Area 370.53 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenedicarboxaldehyde, 3,5-dihydroxy-4-((3,7,11-trimethyl-2,6,10-dodecatrienyl)oxy)-, (e,e)-
  • 3,5-dihydroxy-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde
  • asperugin b
CAS Number(s)
  • 14522-05-5
InChIKey UDBSZUYIWDXRKO-XURGJTJWSA-N
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