Name: 3-keto Fusidic Acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320716
Cas No:4680-37-9
常用名:3-keto Fusidic Acid
IUPAC:2-[(1Z,2S,3aS,3bS,5aS,6S,9aS,9bS,10R,11aR)-2-(acetyloxy)-10-hydroxy-3a,3b,6,9a-tetramethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoic acid
IUPAC:2-[(1Z,2S,3aS,3bS,5aS,6S,9aS,9bS,10R,11aR)-2-(acetyloxy)-10-hydroxy-3a,3b,6,9a-tetramethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoic acid
InChI key:DEKASDKLVVYODQ-UKHRKFAVSA-N

分子式:C31H46O6
分子量:514.703
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12[#6]-[#6@@H](-[#8])[C@@]3([H])[C@@]4([#6])[#6]-[#6]-[#6](=O)-[#6@@H](-[#6])[C@]4([H])[#6]-[#6][C@]3([#6])[C@@]1([#6])[#6]-[#6@H](-[#8]-[#6](-[#6])=O)\[#6]2=[#6](\[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O
SMILES:[H][C@@]12[#6]-[#6@@H](-[#8])[C@@]3([H])[C@@]4([#6])[#6]-[#6]-[#6](=O)-[#6@@H](-[#6])[C@]4([H])[#6]-[#6][C@]3([#6])[C@@]1([#6])[#6]-[#6@H](-[#8]-[#6](-[#6])=O)\[#6]2=[#6](\[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O

3-keto Fusidic acid (3-keto FA) is an active metabolite of the antibiotic fusidic acid .13-keto FA is active againstM. tuberculosis(MIC99= 1.25 μM).

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