3-Quinolinol, 2-Methyl-4-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl)-, 1-Oxide

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Formula C25H33NO2
IUPAC Name 2-methyl-1-oxido-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]-5,6,7,8-tetrahydroquinoline-2,3,4,4a,5,6,7,8,8a-nonaid-3-ol
Molecular Mass 379.535 g·mol−1
Heat of Formation -134.8 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 513.36 Å 3
Surface Area 433.37 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-1-oxido-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3-quinolin-1-iumol
  • 2-methyl-1-oxido-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-1-ium-3-ol
  • aurachin b
  • aurachin-b
CAS Number(s)
  • 108354-12-7
InChIKey ZNSLRZHNFFXDSE-YEFHWUCQSA-N
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