(4Ar,4Bs,6As,7S,9As,9Bs,11Ar)-4A,6A-Dimethyl-7-(3-Methylbutanoyl)-1,4A,4B,5,6,6A,7,8,9,9A,9B,10,11,11A-Tetradecahydro-2H-Indeno[5,4-F]Quinolin-2-One

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Formula C23H35NO2
IUPAC Name (1s,3as,3bs,5ar,9ar,9bs,11as)-9a,11a-dimethyl-1-(3-methylbutanoyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
Molecular Mass 357.530 g·mol−1
Heat of Formation -519.2 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 468.74 Å 3
Surface Area 366.56 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-1-isovaleryl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-9a,11a-dimethyl-1-(3-methyl-1-oxobutyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-9a,11a-dimethyl-1-(3-methylbutanoyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
  • l-654066
  • mk-0963
  • mk-963
InChIKey RDPJISLOFXUIDK-RLAPWRJVSA-N
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