Name: Noboritomycins B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219618889
Cas No:68508-46-3
常用名:Noboritomycins B
IUPAC:6-[(2S,4R,5S,6S,8R)-8-[(2R,3R,4R,5S,7R,9S,10S,12R,15R)-2-[(2R,4R,5S)-5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-3-ethyl-2-hydroxybenzoic acid
IUPAC:6-[(2S,4R,5S,6S,8R)-8-[(2R,3R,4R,5S,7R,9S,10S,12R,15R)-2-[(2R,4R,5S)-5-(ethoxycarbonyl)-4-hydroxyoxolan-2-yl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-3-ethyl-2-hydroxybenzoic acid
InChI key:InChIKey=AFGBEDQMTFPVJS-UWQVYQOWSA-N

分子式:C44H66O14
分子量:818.998
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(C[C@@H](O)[C@H](O1)C(=O)OCC)[C@@]1(C)O[C@]2(O[C@@]3(O[C@]([H])([C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@H](C)c4ccc(CC)c(O)c4C(O)=O)[C@@H](C)C[C@H]3C)C=C[C@H]2O)[C@H](C)[C@H]1OC
SMILES:[H][C@@]1(C[C@@H](O)[C@H](O1)C(=O)OCC)[C@@]1(C)O[C@]2(O[C@@]3(O[C@]([H])([C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@H](C)c4ccc(CC)c(O)c4C(O)=O)[C@@H](C)C[C@H]3C)C=C[C@H]2O)[C@H](C)[C@H]1OC

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