4,5-Di-O-caffeoylquinic acid methyl ester
Modify Date: 2025-08-25 17:16:18
4,5-Di-O-caffeoylquinic acid methyl ester structure
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Common Name | 4,5-Di-O-caffeoylquinic acid methyl ester | ||
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| CAS Number | 188742-80-5 | Molecular Weight | 530.48 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 740.7±60.0 °C at 760 mmHg | |
| Molecular Formula | C26H26O12 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 247.1±26.4 °C | |
Use of 4,5-Di-O-caffeoylquinic acid methyl ester4,5-O-Dicaffeoyl quinic acid methyl ester (compound 4), a dicaffeoylquinic acid, has potent antiviral activity against respiratory syncytial virus (RSV) with an IC50 of 0.63 μg/mL and a CC50 of 118.68 μg/mL. |
| Name | Methyl (1R,3R,4S,5R)-3,4-bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylate |
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| Synonym | More Synonyms |
| Description | 4,5-O-Dicaffeoyl quinic acid methyl ester (compound 4), a dicaffeoylquinic acid, has potent antiviral activity against respiratory syncytial virus (RSV) with an IC50 of 0.63 μg/mL and a CC50 of 118.68 μg/mL. |
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| Related Catalog | |
| References |
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 740.7±60.0 °C at 760 mmHg |
| Molecular Formula | C26H26O12 |
| Molecular Weight | 530.48 |
| Flash Point | 247.1±26.4 °C |
| Exact Mass | 530.142456 |
| LogP | 1.55 |
| Vapour Pressure | 0.0±2.6 mmHg at 25°C |
| Index of Refraction | 1.685 |
| InChIKey | PKJBSZTYNDRXEQ-GMGOHGFSSA-N |
| SMILES | COC(=O)C1(O)CC(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1 |
| Storage condition | 2-8℃ |
| Cyclohexanecarboxylic acid, 3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, methyl ester, (1R,3R,4S,5R)- |
| Methyl (1R,3R,4S,5R)-3,4-bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylate |