Selamectin EP Impurity B
Selamectin EP Impurity B · CAS 165108-09-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Selamectin EP Impurity B
- CAS
- 165108-09-8
- CID
- 131874747
- IUPAC 名称
- (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,24'S)-2-cyclohexyl-24'-hydroxy-21'-hydroxyimino-12'-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Selamectin EP Impurity B
- CAS
- 165108-09-8
- CID
- 131874747
- IUPAC 名称
- (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,24'S)-2-cyclohexyl-24'-hydroxy-21'-hydroxyimino-12'-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
分子属性
- 分子式
- C43H61NO11
- 分子量
- 767.9 g/mol
- 精确质量
- 767.42446176 Da
- 单同位素质量
- 767.42446176 Da
- XLogP
- 5.2
- 极性表面积
- 155 Ų
- 氢键供体
- 3
- 氢键受体
- 12
- 可旋转键
- 4
- 重原子数
- 55
- 净电荷
- 0
- 结构复杂度
- 1600
结构标识
- InChIKey
- GATKGOZXXRVNJY-PBTBINGESA-N
- SMILES
- C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C(C3=NO)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O)OC)\C)O[C@]6(C4)C=C[C@@H]([C@H](O6)C7CCCCC7)C)O
- InChI
- InChI=1S/C43H61NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,17-19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36?/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1