Name: 5-Feruloylquinic acid
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212665195
Cas No:40242-06-6
常用名:5-Feruloylquinic acid
别名:5-O-阿魏酰奎尼酸, 5-O-Feruloylquinic acid, 5-FQA
别名:5-O-阿魏酰奎尼酸, 5-O-Feruloylquinic acid, 5-FQA
IUPAC:(1R,3R,4S,5R)-1,3,4-trihydroxy-5-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
IUPAC:(1R,3R,4S,5R)-1,3,4-trihydroxy-5-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
InChI key:RAGZUCNPTLULOL-JSHWQEIDSA-N

分子式:C17H20O9
分子量:368.338
氢键供体数 (HBD):5
氢键受体数 (HBA):8
LogP:-0.1226357
SMILES:COc1cc(C=CC(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(O)=O)ccc1O |w:5.4|
SMILES:COc1cc(C=CC(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(O)=O)ccc1O |w:5.4|

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