Name: 9(E)-Erythromycin A oxime
Rating: 5 (10 reviews)

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HIT ID:HIT211998562
Cas No:13127-18-9;111321-02-9
常用名:9(E)-Erythromycin A oxime
IUPAC:(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-10-(hydroxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
IUPAC:(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-10-(hydroxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
InChI key:KYTWXIARANQMCA-RWJQBGPGSA-N

分子式:C37H68N2O13
分子量:748.952
氢键供体数 (HBD):6
氢键受体数 (HBA):14
LogP:2.19165
SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NO)[C@H](C)[C@@H](O)[C@]1(C)O |w:43.45|
SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NO)[C@H](C)[C@@H](O)[C@]1(C)O |w:43.45|

(9E)-Erythromycin A oxime is a metabolite of the semisynthetic antibiotic roxithromycin .

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