Desacetyllevonantradol
(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
Also Known As: Desacetyllevonantradol|Desacetylnantradol|CP 54939|(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|desacetylnantradol, (6S-(3(S*),6alpha,6aalpha,9alpha,10abeta))-|(6S)-5,6,6abeta,7,8,9,10,10aalpha-Octahydro-6-methyl-3-[(R)-1-methyl-4-phenylbutoxy]phenanthridine-1,9beta-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))-
| Molecular Formula | C25H33NO3 |
|---|---|
| Molecular Weight | 395.24603 g/mol |
| LogP | 5.241 |
| Topological Polar Surface Area | 61.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.24603 |
| Monoisotopic Mass | 395.24603 |
| Heavy Atoms | 29 |
| Complexity | 822.31824 |
Chemical Identifiers
| CAS Number | 80286-75-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@H](C[C@H]2C3=C(N1)C=C(C=C3O)O[C@H](C)CCCC4=CC=CC=C4)O |
Product Overview
Desacetyllevonantradol (CAS 80286-75-5), with molecular formula C25H33NO3 and molecular weight 395.24603 g/mol. IUPAC: (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.