Himbacine

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Properties Simple | Detailed

Formula C22H35NO2
IUPAC Name (3s,3ar,4r,4as,8ar,9as)-4-[(e)-2-[(1s,2r,6s)-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 -497.7 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 456.63 Å 3
Surface Area 368.37 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3as,4ar,8as,9r,9ar)-9-[(e)-2-[(2r,6s)-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-[(2r,6s)-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-[(2r,6s)-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
  • naphtho(2,3-c)furan-1(3h)-one, decahydro-4-(2-(1,6-dimethyl-2-piperidinyl)ethenyl)-3-methyl-,(3s-(3-alpha,3a-alpha,4-beta(1e,2(2r*,6s*)),4a-beta,8a-alpha,9a-alpha))-
  • naphtho[2,3-c]furan-1(3h)-one, 4-[(1e)-2-[(2r,6s)-1,6-dimethyl-2-piperidinyl]ethenyl]decahydro-3-methyl-(3s,3ar,4r,4as,8ar,9as)-
CAS Number(s)
  • 6879-74-9
InChIKey FMPNFDSPHNUFOS-LPJDIUFZSA-N
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