Phenyl (2R,4As,5R,8As)-4A-Hydroxy-4-Oxo-2-Propyl-5-Vinyloctahydro-1(2H)-Quinolinecarboxylate

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Properties Simple | Detailed

Formula C21H27NO4
IUPAC Name phenyl (2r,4as,5r,8as)-4a-hydroxy-4-oxo-2-propyl-5-vinyl-3,5,6,7,8,8a-hexahydro-2h-quinoline-1-carboxylate
Molecular Mass 357.443 g·mol−1
Heat of Formation -639.0 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 436.99 Å 3
Surface Area 353.61 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4as,5r,8as)-4a-hydroxy-4-keto-2-propyl-5-vinyl-3,5,6,7,8,8a-hexahydro-2h-quinoline-1-carboxylic acid phenyl ester
  • (2r,4as,5r,8as)-4a-hydroxy-4-oxo-2-propyl-5-vinyl-3,5,6,7,8,8a-hexahydro-2h-quinoline-1-carboxylic acid phenyl ester
  • decahydro-4a-hydroxy-4-oxo-2-propyl-5-vinylquinoline-1-carboxylic acid phenyl ester
  • dhopvqp
  • phenyl (2r,4as,5r,8as)-4a-hydroxy-4-oxo-2-propyl-5-vinyl-3,5,6,7,8,8a-hexahydro-2h-quinoline-1-carboxylate
  • phenyl (2r,4as,5r,8as)-5-ethenyl-4a-hydroxy-4-oxo-2-propyl-3,5,6,7,8,8a-hexahydro-2h-quinoline-1-carboxylate
  • phenyl 1,2alpha,3,4,4aalpha,5,6,7,8,8aalpha-decahydro-4a-hydroxy-4-oxo-2-propyl-5-vinylquinoline-1-carboxylate
CAS Number(s)
  • 156340-45-3
InChIKey AMHBGRQWIJZDEB-HPNQWNLUSA-N
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