3-O-Feruloylquinic acid
(1S,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Also Known As: 3-O-Feruloylquinic acid|5-Feruoylquinic acid|3-Feruloylquinic acid|(1S,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid|(1alpha,3alpha,4alpha,5beta)-1,3,4-Trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)cyclohexanecarboxylic acid|Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-, (1alpha,3alpha,4alpha,5beta)-|rel-(1R,3S,4S,5S)-1,3,4-Trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid
| Molecular Formula | C17H20O9 |
|---|---|
| Molecular Weight | 368.11072 g/mol |
| LogP | -0.3429 |
| Topological Polar Surface Area | 153.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.11072 |
| Monoisotopic Mass | 368.11072 |
| Heavy Atoms | 26 |
| Complexity | 714.1851 |
Chemical Identifiers
| CAS Number | 1899-29-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2C[C@@](C[C@@H]([C@@H]2O)O)(C(=O)O)O)O |
Product Overview
3-O-Feruloylquinic acid (CAS 1899-29-2), with molecular formula C17H20O9 and molecular weight 368.11072 g/mol. IUPAC: (1S,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid.
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