基本情報
- 標準SMILES
C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OC(=O)NCCCC(=O)OCC[Si](C)(C)C)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC- InChIKey
ODBYGJRPHSZMPT-UHFFFAOYSA-N- 分子式
- C54H88N2O15Si
- 平均分子量
- 1,033.4 g/mol
名称と識別子
- 優先名称
- 17-Allyl-12-[2-[3-methoxy-4-(3-(2-trimethylsilylethoxycarbonyl)propylcarbamoyloxy)cyclohexyl]-1-methylvinyl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone
- IUPAC
- 2-trimethylsilylethyl 4-[[4-[2-(1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-12-yl)prop-1-enyl]-2-methoxycyclohexyl]oxycarbonylamino]butanoate
名称と別名
17-allyl-12-[2-[3-methoxy-4-(3-(2-trimethylsilylethoxycarbonyl)propylcarbamoyloxy)cyclohexyl]-1-methylvinyl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone17-allyl-12-[2-[3-methoxy-4-[3-(2-trimethylsilylethoxycarbonyl)propylcarbamoyloxy]cyclohexyl]-1-methylvinyl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone17-allyl-12-[2-[3-methoxy-4-{3-(2-trimethylsilylethoxycarbonyl)propylcarbamoyloxy}cyclohexyl]-1-methylvinyl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone17-allyl-12-[2-[3-methoxy-4-{3-(2-trimethylsilylethoxycarbonyl)propylcarbamoyloxy}cyclohexyl]-1-methylvinyl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraoneSCHEMBL6395305ODBYGJRPHSZMPT-UHFFFAOYSA-N17-allyl-12-[2-[3-methoxy-4-{3-(2-trimethylsilylethoxycarbonyl) propylcarbamoyloxy}cyclohexyl]-1-methylvinyl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
物性
構造計算による物性
- 極性表面積
- 223 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 15
- 回転可能結合数
- 17
- 重原子数
- 72
- 形式電荷
- 0
- 複雑度
- 1,920
関連反応
7 件
化合物ノート
読み込み中…