7,20-Cycloatidane-1,11,15-triol, 16,17-didehydro-21-ethyl-4-methyl-, 11-acetate, (1alpha,11beta,15beta)-
7,20-Cycloatidane-1,11,15-triol, 16,17-didehydro-21-ethyl-4-methyl-, 11-acetate, (1alpha,11beta,15beta)- · CAS 111509-08-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 7,20-Cycloatidane-1,11,15-triol, 16,17-didehydro-21-ethyl-4-methyl-, 11-acetate, (1alpha,11beta,15beta)-
- CAS
- 111509-08-1
- CID
- 194907
- IUPAC 名称
- [(2S,8R,9S,11R,13S,14S,15R,16S)-7-ethyl-2,11-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-14-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 7,20-Cycloatidane-1,11,15-triol, 16,17-didehydro-21-ethyl-4-methyl-, 11-acetate, (1alpha,11beta,15beta)-
- CAS
- 111509-08-1
- CID
- 194907
- IUPAC 名称
- [(2S,8R,9S,11R,13S,14S,15R,16S)-7-ethyl-2,11-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-14-yl] acetate
分子属性
- 分子式
- C24H35NO4
- 分子量
- 401.5 g/mol
- 精确质量
- 401.2566086 Da
- 单同位素质量
- 401.2566086 Da
- XLogP
- 1.8
- 极性表面积
- 70 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 3
- 重原子数
- 29
- 净电荷
- 0
- 结构复杂度
- 798
结构标识
- InChIKey
- WYDGCJLTZZIEHA-ZWNWRWOCSA-N
- SMILES
- CCN1CC2(CC[C@@H](C34[C@H]2C[C@H]([C@H]31)C56[C@H]4[C@H]([C@@H](CC5)C(=C)[C@H]6O)OC(=O)C)O)C
- InChI
- InChI=1S/C24H35NO4/c1-5-25-11-22(4)8-7-17(27)24-16(22)10-15(20(24)25)23-9-6-14(12(2)21(23)28)18(19(23)24)29-13(3)26/h14-21,27-28H,2,5-11H2,1,3-4H3/t14-,15+,16-,17-,18-,19+,20+,21+,22?,23?,24?/m0/s1