Chemical Compound

(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[(4R,5S,6S,7R,9R,15R,16R)-4-(acetyloxy)-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate

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(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[(4R,5S,6S,7R,9R,15R,16R)-4-(acetyloxy)-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate 结构式
Primary record

(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[(4R,5S,6S,7R,9R,15R,16R)-4-(acetyloxy)-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177496077
SMILES
CCC1[C@H](/C=C(/C=C\C(=O)[C@@H](C[C@@H](C([C@H](C(CC(=O)O1)OC(=O)C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)\C)CO
Canonical SMILES
CCC1OC(=O)CC(OC(C)=O)[C@H](C)C(O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\C(C)=C\[C@@H]1CO

名称与同义词

  • Antibiotic N-1
  • J221.727I
  • (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[(4R,5S,6S,7R,9R,15R,16R)-4-(acetyloxy)-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate
  • 23-O-De(6-deoxy-2-O,3-O-dimethyl-beta-D-allopyranosyl)tyrosine [antibiotic]3-acetate 4 -(3-methylbutanoate)