2,3-Dehydro-3,4-dihydro ivermectin
2,3-Dehydro-3,4-dihydro ivermectin · CAS 1135339-49-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2,3-Dehydro-3,4-dihydro ivermectin
- CAS
- 1135339-49-9
- CID
- 44564471
- IUPAC 名称
- (4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,22S,24R)-6'-[(2S)-butan-2-yl]-21,24-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-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(23),10,14,16-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
- 2,3-Dehydro-3,4-dihydro ivermectin
- CAS
- 1135339-49-9
- CID
- 44564471
- IUPAC 名称
- (4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,22S,24R)-6'-[(2S)-butan-2-yl]-21,24-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-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(23),10,14,16-tetraene-6,2'-oxane]-2-one
分子属性
- 分子式
- C48H74O14
- 分子量
- 875.1 g/mol
- 精确质量
- 874.50785703 Da
- 单同位素质量
- 874.50785703 Da
- XLogP
- 4.8
- 极性表面积
- 170 Ų
- 氢键供体
- 3
- 氢键受体
- 14
- 可旋转键
- 8
- 重原子数
- 62
- 净电荷
- 0
- 结构复杂度
- 1680
结构标识
- InChIKey
- AZSRBVAPBFWEGT-UQJGBDTDSA-N
- SMILES
- CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(=C[C@@H]([C@H]5O)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)C
- InChI
- InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28-31,33-34,36-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,29-,30-,31-,33+,34-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1