4-O-Caffeoyl-3-O-syringoylquinic acid | 4-O-咖啡酰-3-O-丁香酰奎宁酸 | (1R,3R,4S,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3-dihydroxy-5-(4-hydroxy-3,5-dimethoxybenzoyl)oxycyclohexane-1-carboxylic acid | CAS 1207645-17-7

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HIT ID:HIT220973044
Cas No:1207645-17-7
常用名:4-O-Caffeoyl-3-O-syringoylquinic acid
常用名:4-O-Caffeoyl-3-O-syringoylquinic acid
别名:4-O-咖啡酰-3-O-丁香酰奎宁酸, (1R,3R,4S,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3-dihydroxy-5-(4-hydroxy-3,5-dimethoxybenzoyl)oxycyclohexane-1-carboxylic acid
别名:4-O-咖啡酰-3-O-丁香酰奎宁酸, (1R,3R,4S,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3-dihydroxy-5-(4-hydroxy-3,5-dimethoxybenzoyl)oxycyclohexane-1-carboxylic acid
IUPAC:(1R,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-(4-hydroxy-3,5-dimethoxybenzoyloxy)cyclohexane-1-carboxylic acid
IUPAC:(1R,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-(4-hydroxy-3,5-dimethoxybenzoyloxy)cyclohexane-1-carboxylic acid
InChI key:InChIKey=PYGQEDZSTFIHHP-ZUVVRKDRSA-N

分子式:C25H26O13
分子量:534.47
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(cc(OC)c1O)C(=O)O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
SMILES:COc1cc(cc(OC)c1O)C(=O)O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O

4-O-Caffeoyl-3-O-syringoylquinic acid 是从金银花（Lonicera japonica Thunb.）花蕾中分离得到的苯丙素类天然产物，可用于生命科学领域的相关研究。

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