Abamectin-Impurity C (Freebase)
Abamectin-Impurity C (Freebase) · CAS 65195-53-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Abamectin-Impurity C (Freebase)
- CAS
- 65195-53-1
- CID
- 3085313
- IUPAC 名称
- (1R,4S,5'S,6R,6'R,8R,12S,13S,20R,21R,24S)-6'-[(2S)-butan-2-yl]-4',24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-21-methoxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Abamectin-Impurity C (Freebase)
- CAS
- 65195-53-1
- CID
- 3085313
- IUPAC 名称
- (1R,4S,5'S,6R,6'R,8R,12S,13S,20R,21R,24S)-6'-[(2S)-butan-2-yl]-4',24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-21-methoxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
分子属性
- 分子式
- C49H76O15
- 分子量
- 905.1 g/mol
- 精确质量
- 904.51842171 Da
- 单同位素质量
- 904.51842171 Da
- XLogP
- 3.7
- 极性表面积
- 179 Ų
- 氢键供体
- 3
- 氢键受体
- 15
- 可旋转键
- 9
- 重原子数
- 64
- 净电荷
- 0
- 结构复杂度
- 1730
结构标识
- InChIKey
- JVGWUGTWQIAGHJ-WIVHHVRZSA-N
- SMILES
- CC[C@H](C)[C@@H]1[C@H](C(C[C@@]2(O1)C[C@@H]3C[C@H](O2)CC=C([C@H]([C@H](C=CC=C4CO[C@H]5[C@@]4([C@@H](C=C([C@H]5OC)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)C)O)C
- InChI
- InChI=1S/C49H76O15/c1-12-25(2)43-29(6)36(50)23-48(64-43)22-34-19-33(63-48)17-16-27(4)42(61-40-21-38(55-10)45(31(8)59-40)62-39-20-37(54-9)41(51)30(7)58-39)26(3)14-13-15-32-24-57-46-44(56-11)28(5)18-35(47(52)60-34)49(32,46)53/h13-16,18,25-26,29-31,33-46,50-51,53H,12,17,19-24H2,1-11H3/t25-,26-,29-,30-,31-,33+,34-,35-,36?,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,48-,49+/m0/s1