1-[(4As,5S,6S,8As)-6-Hydroxy-5,8A-Dimethyloctahydro-2(1H)-Isoquinolinyl]-1-Dodecanone

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Formula C23H43NO2
IUPAC Name 1-[(4as,5s,6s,8as)-6-hydroxy-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-2-yl]dodecan-1-one
Molecular Mass 365.593 g·mol−1
Heat of Formation -750.0 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 510.46 Å 3
Surface Area 447.34 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 4.38 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(4as,5s,6s,8as)-6-hydroxy-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-2-yl]dodecan-1-one
  • 6-isoquinolinol, decahydro-5,8a-dimethyl-2-(1-oxododecyl)-, (4as-(4aalpha,5alpha,6bta,8abeta))-
  • n-(1-oxododecyl)-4,10-dimethyl-8-azadecal-3-ol
  • n-(1-oxododecyl)-4alpha,10-dimethyl-8-aza-trans-decal-3beta-ol
  • offado
CAS Number(s)
  • 143705-67-3
InChIKey HAAFPJPFMNRFMB-VVSUKSJXSA-N
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