(4R)-4-[(6Ar,7R,9As,9Bs)-6A-Methyl-3-Oxo-2,3,4,6,6A,7,8,9,9A,9B-Decahydro-1H-Cyclopenta[F]Quinolin-7-Yl]Pentanoic Acid

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Properties Simple | Detailed

Formula C18H27NO3
IUPAC Name (4r)-4-[(6ar,7r,9as,9bs)-6a-methyl-3-oxo-2,4,6,7,8,9,9a,9b-octahydro-1h-cyclopenta[f]quinolin-7-yl]pentanoic acid
Molecular Mass 305.412 g·mol−1
Heat of Formation -711.2 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 389.67 Å 3
Surface Area 323.31 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-(2,3,4,6,6abeta,7,8,9,9aalpha,9bbeta-decahydro-6abeta-methyl-3-oxo-1h-cyclopenta(f)quinolin-7beta-yl)valeric acid
  • (4r)-4-[(6ar,7r,9as,9bs)-3-keto-6a-methyl-2,4,6,7,8,9,9a,9b-octahydro-1h-cyclopenta[f]quinolin-7-yl]valeric acid
  • (4r)-4-[(6ar,7r,9as,9bs)-6a-methyl-3-oxo-2,4,6,7,8,9,9a,9b-octahydro-1h-cyclopenta[f]quinolin-7-yl]pentanoic acid
  • (6ar-(6aalpha,7alpha(r*),9abeta,9balpha))-2,3,4,6,6a,7,8,9,9a-decahydro-gamma,6a-dimethyl-3-oxo-1h-cyclopenta(f)quinoline-7-butanoic acid
  • 1h-cyclopenta(f)quinoline-7-butanoic acid, 2,3,4,6,6a,7,8,9,9a-decahydro-gamma,6a-dimethyl-3-oxo-, (6ar-(6aalpha,7alpha(r*),9abeta,9balpha))-
  • 4-(decahydro-6-methyl-3-oxo-cyclopenta(f)quinoline-7-yl)valeric acid
  • 4-(decahydromethyl-3-oxo-1h-cyclopentaquinolinyl)valeric acid
  • dcqva
CAS Number(s)
  • 24967-10-0
InChIKey YHBFMULEUYRINA-RRLOCTAFSA-N
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