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

Molecule SVG Image

Properties Simple | Detailed

Formula C26H45NO3
IUPAC Name [(2r,3r,4as,5s,8ar)-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 -798.5 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 583.5 Å 3
Surface Area 455.06 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-octa-2,4-dienoic acid [(2r,3r,4as,5s,8ar)-5-[(5r)-5-hydroxyoctyl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] ester
  • (2r,3r,4as,5s,8ar)-5-(5-hydroxyoctyl)-2-methyldecahydroquinolin-3-yl rel-(2e,4e)-octa-2,4-dienoate
  • 2,4-octadienoic acid, (2r,3r,4as,5s,8ar)-decahydro-5-(5-hydroxyoctyl)-2-methyl-3-quinolinyl ester, (2e,4e)-
  • [(2r,3r,4as,5s,8ar)-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
InChIKey RLTXIRPCJHXWEP-WHZAVNHLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N