(E)-2-Methyl-2-butenedioic acid 4-ethyl 1-[(1R,1alpha,5S)-8-methyl-6alpha-[(3-methyl-1-oxo-2-butenyl)oxy]-8-azabicyclo[3.2.1]octan-3beta-yl] ester
(E)-2-Methyl-2-butenedioic acid 4-ethyl 1-[(1R,1alpha,5S)-8-methyl-6alpha-[(3-methyl-1-oxo-2-butenyl)oxy]-8-azabicyclo[3.2.1]octan-3beta-yl] ester · CAS 70474-24-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (E)-2-Methyl-2-butenedioic acid 4-ethyl 1-[(1R,1alpha,5S)-8-methyl-6alpha-[(3-methyl-1-oxo-2-butenyl)oxy]-8-azabicyclo[3.2.1]octan-3beta-yl] ester
- CAS
- 70474-24-7
- CID
- 101282058
- IUPAC 名称
- 4-O-ethyl 1-O-[(1R,3R,5S,6R)-8-methyl-6-(3-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enedioate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (E)-2-Methyl-2-butenedioic acid 4-ethyl 1-[(1R,1alpha,5S)-8-methyl-6alpha-[(3-methyl-1-oxo-2-butenyl)oxy]-8-azabicyclo[3.2.1]octan-3beta-yl] ester
- CAS
- 70474-24-7
- CID
- 101282058
- IUPAC 名称
- 4-O-ethyl 1-O-[(1R,3R,5S,6R)-8-methyl-6-(3-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enedioate
分子属性
- 分子式
- C20H29NO6
- 分子量
- 379.4 g/mol
- 精确质量
- 379.19948764 Da
- 单同位素质量
- 379.19948764 Da
- XLogP
- 3.2
- 极性表面积
- 82.1 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 9
- 重原子数
- 27
- 净电荷
- 0
- 结构复杂度
- 649
结构标识
- InChIKey
- LTHNNGQCWYQQLA-QYMHLLFHSA-N
- SMILES
- CCOC(=O)/C=C(\C)/C(=O)O[C@@H]1C[C@@H]2C[C@H]([C@H](C1)N2C)OC(=O)C=C(C)C
- InChI
- InChI=1S/C20H29NO6/c1-6-25-18(22)8-13(4)20(24)26-15-9-14-10-17(16(11-15)21(14)5)27-19(23)7-12(2)3/h7-8,14-17H,6,9-11H2,1-5H3/b13-8+/t14-,15-,16+,17-/m1/s1