(2S,3R,4As,5S,8As)-5-[(5R)-5-Hydroxyoctyl]-2-Methyldecahydro-3-Quinolinyl (2E,4E)-2,4-Octadienoate

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Properties Simple | Detailed

Formula C26H45NO3
IUPAC Name [(2s,3r,4as,5s,8as)-5-[(5r)-5-hydroxyoctyl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] (2e,4e)-octa-2,4-dienoate
Molecular Mass 419.640 g·mol−1
Heat of Formation -776.6 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 575.98 Å 3
Surface Area 512.81 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-octa-2,4-dienoic acid [(2s,3r,4as,5s,8as)-5-[(5r)-5-hydroxyoctyl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] ester
  • (2r,3s,5r)-5-(5-hydroxyoctyl)-2-methyldecahydroquinolin-3-yl rel-(2e,4e)-octa-2,4-dienoate
  • 2,4-octadienoic acid, (2s,3r,5s)-decahydro-5-(5-hydroxyoctyl)-2-methyl-3-quinolinyl ester, (2e,4e)-
  • [(2s,3r,4as,5s,8as)-5-[(5r)-5-hydroxyoctyl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] (2e,4e)-octa-2,4-dienoate
  • lepadin h
  • octa-2,4-dienoic acid 5-(5-hydroxy-octyl)-2-methyl-decahydro-quinolin-3-yl ester
InChIKey RLTXIRPCJHXWEP-HUGKADNISA-N
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