(3S,3Ar,4R,4As,8Ar,9As)-4-{(E)-2-[(2S,6R)-1,6-Dimethyl-2-Piperidinyl]Vinyl}-3-Methyldecahydronaphtho[2,3-C]Furan-1(3H)-One

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Formula C22H35NO2
IUPAC Name (3s,3ar,4r,4as,8ar,9as)-4-[(e)-2-[(2s,6r)-1,6-dimethyl-2-piperidyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3h-benzo[f]isobenzofuran-1-one
Molecular Mass 345.519 g·mol−1
Heat of Formation -507.1 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 456.58 Å 3
Surface Area 360.41 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • ()-himbacine
  • (1s,3as,4ar,8as,9r,9ar)-9-[(e)-2-[(2s,6r)-1,6-dimethyl-2-piperidinyl]vinyl]-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1h-benzo[f]isobenzofuran-3-one
  • (1s,3as,4ar,8as,9r,9ar)-9-[(e)-2-[(2s,6r)-1,6-dimethyl-2-piperidyl]vinyl]-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1h-benzo[f]isobenzofuran-3-one
  • (1s,3as,4ar,8as,9r,9ar)-9-[(e)-2-[(2s,6r)-1,6-dimethylpiperidin-2-yl]ethenyl]-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1h-naphtho[3,2-c]furan-3-one
  • (3s,3ar,4r,4as,8ar,9as)-4-[(1e)-2-[(2r,6s)-1,6-dimethyl-2-piperdinyl]ethenyl]decahydro-3-methyl-naphtho[2,3-c]furan-1(3h)-one
InChIKey FMPNFDSPHNUFOS-YKCJDCANSA-N
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