(6S,6Ar,9R,10Ar)-5,6,6A,7,8,9,10,10A-Octahydro-6-Methyl-3-((1R)-1-Methyl-4-Phenylbutoxy)-1,9-Phenanthridinediol 1-Acetate

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Properties Simple | Detailed

Formula C27H35NO4
IUPAC Name [(6s,6ar,9r,10ar)-9-hydroxy-6-methyl-3-[(1r)-1-methyl-4-phenyl-butoxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate
Molecular Mass 437.571 g·mol−1
Heat of Formation -535.8 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 553.4 Å 3
Surface Area 413.46 Å 2
Point Group Symmetry C1
Synonyms
  • (-)-nantradol
  • 1,9-phenanthridinediol, 5,6,6a,7,8,9,10,10a-octahydro-6-methyl-3-((1r)-1-methyl-4-phenylbutoxy)-, 1-acetate, (6s,6ar,9r,10ar)-
  • 1,9-phenanthridinediol, 5,6,6a,7,8,9,10,10a-octahydro-6-methyl-3-(1-methyl-4-phenylbutoxy)-, 1-acetate, (6s-(3(s*),6alpha,6aalpha, 9alpha,10abeta))-
  • [(6s,6ar,9r,10ar)-9-hydroxy-6-methyl-3-[(1r)-1-methyl-4-phenyl-butoxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate
  • [(6s,6ar,9r,10ar)-9-hydroxy-6-methyl-3-[(2r)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate
  • [(6s,6ar,9r,10ar)-9-hydroxy-6-methyl-3-[(2r)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] ethanoate
  • acetic acid [(6s,6ar,9r,10ar)-9-hydroxy-6-methyl-3-[(1r)-1-methyl-4-phenyl-butoxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] ester
  • acetic acid [(6s,6ar,9r,10ar)-9-hydroxy-6-methyl-3-[(1r)-1-methyl-4-phenylbutoxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] ester
  • cp 50556-1
  • l-nantradol
  • levonantradol
  • pdsp2_000184
  • pdsp2_000670
CAS Number(s)
  • 71048-87-8
InChIKey FFVXQGMUHIJQAO-BFKQJKLPSA-N
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