5-[4'-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalen]-4-yl]-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6(2H)-one
基本情報
- CAS
191539-54-5- 標準SMILES
COC1=CC(=O)C(c2cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc23)=C2C[C@@H](C)NC(C)=C12- InChIKey
CPBMKCLMBAJARI-WXFUMESZSA-N- 分子式
- C47H48N2O8
- 平均分子量
- 768.9 g/mol
- 単同位体質量
- 768.34106649
概要
5-[4'-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalen]-4-yl]-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6(2H)-one has been reported in Ancistrocladus korupensis with data available.
名称と識別子
- 優先名称
- 5-[4'-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalen]-4-yl]-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6(2H)-one
- IUPAC
- (3R)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-3,4-dihydro-2H-isoquinolin-6-one
名称と別名
DTXSID30940788(3R)-5-{4'-[(1R,3R)-6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6(2H)-one5-[4'-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalen]-4-yl]-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6(2H)-one
データベース識別子
- CAS
191539-54-5- PubChem CID
- 5469775
- DTXSID
DTXSID30940788
物性
構造計算による物性
- XLogP
- 7.8
- 極性表面積
- 150 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 10
- 回転可能結合数
- 6
- 重原子数
- 57
- 形式電荷
- 0
- 複雑度
- 1,610
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…