Levonantradol
HIT212710825
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HIT ID: HIT212710825
Cas No: 71048-87-8
分子式: C27H35NO4
分子量: 437.58
常用名: Levonantradol
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 4.806177
IUPAC: (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
IUPAC: (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
SMILES: [H][C@@]12CC[C@@H](O)C[C@@]1([H])c1c(N[C@H]2C)cc(O[C@H](C)CCCc2ccccc2)cc1OC(C)=O
SMILES: [H][C@@]12CC[C@@H](O)C[C@@]1([H])c1c(N[C@H]2C)cc(O[C@H](C)CCCc2ccccc2)cc1OC(C)=O
InChI key: FFVXQGMUHIJQAO-BFKQJKLPSA-N
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