Militarinone D

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Properties Simple | Detailed

Formula C26H31NO4+
IUPAC Name 4-hydroxy-5-(4-hydroxyphenyl)-3-[(2e,4e,6e,8r,10r)-6,8,10-trimethyldodeca-2,4,6-trienoyl]pyridin-2-one
Molecular Mass 421.529 g·mol−1
Heat of Formation -587.9 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 538.19 Å 3
Surface Area 470.83 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-5-(4-hydroxyphenyl)-3-[(2e,4e,6e,8r,10r)-6,8,10-trimethyl-1-oxododeca-2,4,6-trienyl]-1h-pyridin-4-one
  • 2-hydroxy-5-(4-hydroxyphenyl)-3-[(2e,4e,6e,8r,10r)-6,8,10-trimethyldodeca-2,4,6-trienoyl]-1h-pyridin-4-one
  • 2-hydroxy-5-(4-hydroxyphenyl)-3-[(2e,4e,6e,8r,10r)-6,8,10-trimethyldodeca-2,4,6-trienoyl]-4-pyridone
  • 4-hydroxy-5-(4-hydroxy-phenyl)-3-(6,8,10-trimethyl-dodeca-2,4,6-trienoyl)-1h-pyridin-2-one
  • 4-hydroxy-5-(4-hydroxyphenyl)-3-(6,8,10-trimethyldodeca-2,4,6-trienoyl)-1h-pyridin-2-one
  • rel-4-hydroxy-5-(4-hydroxyphenyl)-3-[(2e,4e,6e,8r,10r)-6,8,10-trimethyldodeca-2,4,6-trienoyl]pyridin-2(1h)-one
InChIKey GBZJQQUISHXMFL-YNFQZBBQSA-N
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