Rescinnamidine
基本情報
- CAS
110222-52-1- 標準SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)CCc2cc(OC)c(OC)c(OC)c2)[C@@H]1OC- InChIKey
PYYLUPQQQNZLDO-LAFLMMDJSA-N- 分子式
- C35H44N2O9
- 平均分子量
- 636.7 g/mol
- 単同位体質量
- 636.30468099
概要
Rescinnamidine has been reported in Rauvolfia serpentina with data available.
名称と識別子
- 優先名称
- Rescinnamidine
- IUPAC
- methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
名称と別名
Rescinnamidine110222-52-1Methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylateReserpic acid, methyl ester, 3,4,5-trimethoxyhydrocinnamateBenz(g)indolo(2,3-a)quinolizine, yohimban-16-carboxylic acid derivYohimban-16-carboxylic acid, 11,17-dimethoxy-18-(1-oxo-3-(3,4,5-trimethoxyphenyl)propoxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3-(3,4,5-trimethoxyphenyl)propanoyloxy)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylateRefChem:1788922',3'-Dihydrorescinnamineorb1695497SCHEMBL30637549DTXSID40911545
名称をさらに表示
methyl 11,17-dimethoxy-18-{[3-(3,4,5-trimethoxyphenyl)propanoyl]oxy}yohimban-16-carboxylateAKOS040753729T34291methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[3-(3,4,5-trimethoxyphenyl)propanoyl]oxy}yohimban-16-carboxylateMethyl 11,17alpha-dimethoxy-18beta-{[3-(3,4,5-trimethoxyphenyl)propanoyl]oxy}-3beta,20alpha-yohimban-16beta-carboxylate
物性
構造計算による物性
- XLogP
- 4.3
- 極性表面積
- 118 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 10
- 回転可能結合数
- 12
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 1,030
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