[(1R,10S,12S,13R,14S,16S,17S,18R)-14-methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
[(1R,10S,12S,13R,14S,16S,17S,18R)-14-methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate · CAS 1422506-52-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1R,10S,12S,13R,14S,16S,17S,18R)-14-methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
- CAS
- 1422506-52-2
- CID
- 131847917
- IUPAC 名称
- [(1R,10S,12S,13R,14S,16S,17S,18R)-14-methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1R,10S,12S,13R,14S,16S,17S,18R)-14-methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
- CAS
- 1422506-52-2
- CID
- 131847917
- IUPAC 名称
- [(1R,10S,12S,13R,14S,16S,17S,18R)-14-methyl-13-[(E)-3-oxobut-1-enyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
分子属性
- 分子式
- C24H26N2O3
- 分子量
- 390.5 g/mol
- 精确质量
- 390.1943427 Da
- 单同位素质量
- 390.1943427 Da
- XLogP
- 2.3
- 极性表面积
- 59 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 4
- 重原子数
- 29
- 净电荷
- 0
- 结构复杂度
- 834
结构标识
- InChIKey
- CTZIRFIBRQILGQ-GKCMQIGESA-N
- SMILES
- C[C@H]1[C@@H]([C@@H]2C[C@@H]3N1[C@@H]4[C@H]2[C@H]([C@@]5(C4)C3=NC6=CC=CC=C56)OC(=O)C)/C=C/C(=O)C
- InChI
- InChI=1S/C24H26N2O3/c1-12(27)8-9-15-13(2)26-19-10-16(15)21-20(26)11-24(23(21)29-14(3)28)17-6-4-5-7-18(17)25-22(19)24/h4-9,13,15-16,19-21,23H,10-11H2,1-3H3/b9-8+/t13-,15-,16-,19-,20-,21-,23+,24+/m0/s1