14-Cinnamoyloxycodeinone
基本情報
- CAS
751-01-9- 標準SMILES
COc1ccc2c3c1O[C@H]1C(=O)C=C[C@@]4(OC(=O)/C=C/c5ccccc5)[C@@H](C2)N(C)CC[C@]314- InChIKey
BWZTYCFJIMYOHI-JKGZCERPSA-N- 分子式
- C27H25NO5
- 平均分子量
- 443.5 g/mol
- 単同位体質量
- 443.1732729
名称と識別子
- 優先名称
- 14-Cinnamoyloxycodeinone
- IUPAC
- [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] (E)-3-phenylprop-2-enoate
名称と別名
14-Cinnamoyloxycodeinone14-Hydroxycodeinone cinnamate751-01-9M9VES83RLJCodeinone, 14-hydroxy-, cinnamateDTXSID401018230Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, cinnamateMorphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-((1-oxo-3-phenyl-2-propenyl)oxy)-, (5-alpha)-[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl](E)-3-phenylprop-2-enoate((4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline-4a-yl)(E)-3-phenylprop-2-enoateMorphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-((1-oxo-3-phenyl-2-propen-1-yl)oxy)-, (5I+-)-Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-((1-oxo-3-phenyl-2-propenyl)oxy)-, (5I+-)-
名称をさらに表示
Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]-, (5I+-)-Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-[(1-oxo-3-phenyl-2-propenyl)oxy]-, (5I+-)-RefChem:78607Codeinone, 14-hydroxy-, cinnamate (7CI)DTXCID801476464[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] (E)-3-phenylprop-2-enoateUNII-M9VES83RLJSCHEMBL15736852
データベース識別子
- CAS
751-01-9- PubChem CID
- 6438241
- DTXSID
DTXSID401018230- UNII
- M9VES83RLJ
- Nikkaji
- J48.477F
物性
構造計算による物性
- XLogP
- 3.8
- 極性表面積
- 65.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 878
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