(6S,6Ar,9R,10Ar)-6-Methyl-3-[(5-Phenylpentan-2-Yl)Oxy]-5,6,6A,7,8,9,10,10A-Octahydrophenanthridine-1,9-Diol

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Properties Simple | Detailed

Formula C25H33NO3
IUPAC Name (6s,6ar,9r,10ar)-6-methyl-3-[(1r)-1-methyl-4-phenyl-butoxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
Molecular Mass 395.534 g·mol−1
Heat of Formation -549.2 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 500.84 Å 3
Surface Area 435.86 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,6ar,9r,10ar)-6-methyl-3-[(1r)-1-methyl-4-phenyl-butoxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
  • (6s,6ar,9r,10ar)-6-methyl-3-[(1r)-1-methyl-4-phenylbutoxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
  • (6s,6ar,9r,10ar)-6-methyl-3-[(2r)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
  • 1,9-phenanthridinediol, 5,6,6a,7,8,9,10,10a-octahydro-6-methyl-3-((1r)-1-methyl-4-phenylbutoxy)-, (6s,6ar,9r,10ar)-
  • 1,9-phenanthridinediol, 5,6,6a,7,8,9,10,10a-octahydro-6-methyl-3-(1-methyl-4-phenylbutoxy)-, (6s-(3(s*),6alpha,6aalpha,9alpha,10abeta))-
  • cp 54939
  • desacetyllevonantradol
CAS Number(s)
  • 80286-75-5
InChIKey YPYQDMBJZJZFQL-LLZYVPLJSA-N
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