3-keto Fusidic Acid
HIT214320716
sdf文件结构编辑类似物检索
HIT ID: HIT214320716
Cas No: 4680-37-9
分子式: C31H46O6
分子量: 514.703
常用名: 3-keto Fusidic Acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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
InChI key: DEKASDKLVVYODQ-UKHRKFAVSA-N
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