Introduction：Basic information about CAS 123483-19-2|3-O-Caffeoylquinic acid methyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-O-Caffeoylquinic acid methyl ester |
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| CAS Number | 123483-19-2 | Molecular Weight | 368.335 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 577.0±50.0 °C at 760 mmHg |
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| Molecular Formula | C17H20O9 | Melting Point | / |
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| MSDS | / | Flash Point | 208.1±23.6 °C |
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Names
| Name | E6GC3KV7JK |
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| Synonym | More Synonyms |
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3-O-Caffeoylquinic acid methyl ester BiologicalActivity
| Description | 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Chen YJ, et al. Chemical Constituents of Pyrrosia calvata. Nat Prod Commun. 2015 Jul;10(7):1191-3. |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 577.0±50.0 °C at 760 mmHg |
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| Molecular Formula | C17H20O9 |
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| Molecular Weight | 368.335 |
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| Flash Point | 208.1±23.6 °C |
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| Exact Mass | 368.110718 |
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| LogP | 0.31 |
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| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
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| Index of Refraction | 1.646 |
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| InChIKey | MZNIJRAPCCELQX-AWOKGZDASA-N |
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| SMILES | COC(=O)C1(O)CC(O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1 |
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Synonyms
| Methyl (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylate |
| Chlorogenic acid methyl ester, Methyl (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylate |
| Methyl (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylate |
| E6GC3KV7JK |
| Methyl chlorogenate |
| Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)- |
