Chemical Compound

(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21'-[(tert-butyldimethylsilyl)oxy]-24'-hydroxy-12'-{[(2R,4S,5S,6S)-4-methoxy-5-{[(2S,4S,6S)-4-methoxy-6-methyl-5-[2-oxo-2-(piperidin-1-yl)ethylidene]oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one

(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21'-[(tert-butyldimethylsilyl)oxy]-24'-hydroxy-12'-{[(2R,4S,5S,6S)-4-methoxy-5-{[(2S,4S,6S)-4-methoxy-6-methyl-5-[2-oxo-2-(piperidin-1-yl)ethylidene]oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one 结构式
Primary record

(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21'-[(tert-butyldimethylsilyl)oxy]-24'-hydroxy-12'-{[(2R,4S,5S,6S)-4-methoxy-5-{[(2S,4S,6S)-4-methoxy-6-methyl-5-[2-oxo-2-(piperidin-1-yl)ethylidene]oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177455729
SMILES
CC[C@H](C)[C@@H]1[C@H](C=C[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@@H](C=C([C@H]5O[Si](C)(C)C(C)(C)C)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(=C\C(=O)N8CCCCC8)/[C@@H](O7)C)OC)OC)\C)C
Canonical SMILES
CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)/C(=C\C(=O)N5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2

名称与同义词

  • J2.037.029G
  • (1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21'-[(tert-butyldimethylsilyl)oxy]-24'-hydroxy-12'-{[(2R,4S,5S,6S)-4-methoxy-5-{[(2S,4S,6S)-4-methoxy-6-methyl-5-[2-oxo-2-(piperidin-1-yl)ethylidene]oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one
  • 4 -Deoxy-4 -(2-oxo-2-piperidinoethylidene)-5-O-demethyl-5-O-(tert-butyldimethylsilyl)avermectin A1a