3-Feruloyl-4-caffeoylquinic acidCAS# 96990-65-7 |
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 96990-65-7 | SDF | Download SDF |
| PubChem ID | 92135801.0 | Appearance | Powder |
| Formula | C26H26O12 | M.Wt | 530.48 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | (1S,3R,4R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid | ||
| SMILES | COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)O)(C(=O)O)O)O | ||
| Standard InChIKey | SDMADMBVKYOYQN-CSPRBKSFSA-N | ||
| Standard InChI | InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-5+,9-4+/t19-,21-,24-,26+/m1/s1 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
3-Feruloyl-4-caffeoylquinic acid Dilution Calculator
3-Feruloyl-4-caffeoylquinic acid Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 1.8851 mL | 9.4254 mL | 18.8509 mL | 37.7017 mL | 47.1271 mL |
| 5 mM | 0.377 mL | 1.8851 mL | 3.7702 mL | 7.5403 mL | 9.4254 mL |
| 10 mM | 0.1885 mL | 0.9425 mL | 1.8851 mL | 3.7702 mL | 4.7127 mL |
| 50 mM | 0.0377 mL | 0.1885 mL | 0.377 mL | 0.754 mL | 0.9425 mL |
| 100 mM | 0.0189 mL | 0.0943 mL | 0.1885 mL | 0.377 mL | 0.4713 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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UHPLC-ESI-QqTOF-MS/MS characterization of minor chlorogenic acids in roasted Coffea arabica from different geographical origin.[Pubmed:29974575]
J Mass Spectrom. 2018 Sep;53(9):763-771.
Chlorogenic acids are relevant coffee quality markers, taste, and aroma precursors as well as important bioactive compounds. A number of mono-acyl, di-acyl, and tri-acyl quinic acid isomers were found in green coffee beans, being mono-caffeoyl, mono-feruloyl, mono-p-coumaroyl, and di-caffeoylquinic acid isomers considered as quantitatively major compounds. Roasting process increases the chemical complexity of coffee by inducing the formation of a number of lactones (quinides), shikimates, and other chlorogenic acids derivatives. So far, little attention has been paid in characterizing minor chlorogenic acids and derivatives in roasted Coffea arabica, also known as Arabica. In the present work, roasted C. arabica samples from different geographical origins (Brazil, Colombia, Costa Rica, Ethiopia, Guatemala, and India) were characterized by UHPLC-ESI-QqTOF-MS/MS. Several minor chlorogenic acid isomers were identified. In particular, HR-MS/MS provided putative identification of four dimethoxycinnamoyl-quinic acid derivatives, such as 4-dimethoxycinnamoylquinic acid, 4-dimethoxycinnamoyl-3-caffeoylquinic acid, 3-dimethoxycinnamoyl-4-feruloylquinic acid, 4-dimethoxycinnamoyl-5-feruloylquinic acid, and two caffeoyl, feruloyl quinic acid derivatives (3-caffeoyl-4-feruloylquinic acid and 3-Feruloyl-4-caffeoylquinic acid). To our knowledge, these compounds were found in roasted Arabica coffee for the first time, and their presence is independent on the different geographical origins examined.
