Ethyl 3,4-dicaffeoylquinate
HIT213885680
sdf文件结构编辑类似物检索
HIT ID: HIT213885680
Cas No: 143051-73-4
分子式: C27H28O12
分子量: 544.509
常用名: Ethyl 3,4-dicaffeoylquinate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: ethyl (1S,3R,4R,5R)-3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate
IUPAC: ethyl (1S,3R,4R,5R)-3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate
SMILES: CCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1
SMILES: CCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1
InChI key: RGAMPVVUXFUXES-FYOODVSHSA-N
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