NeotheaflavinCAS# 36451-14-6 |
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Chemical structure
3D structure
| Cas No. | 36451-14-6 | SDF | Download SDF |
| PubChem ID | 135911695.0 | Appearance | Powder |
| Formula | C29H24O12 | M.Wt | 564.5 |
| Type of Compound | Polyphenols | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | 3,4,6-trihydroxy-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-1-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-5-one | ||
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O | ||
| Standard InChIKey | IPMYMEWFZKHGAX-WCQFOESSSA-N | ||
| Standard InChI | InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22+,28-,29-/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. | ||
Black tea
Neotheaflavin Dilution Calculator
Neotheaflavin Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 1.7715 mL | 8.8574 mL | 17.7148 mL | 35.4296 mL | 44.287 mL |
| 5 mM | 0.3543 mL | 1.7715 mL | 3.543 mL | 7.0859 mL | 8.8574 mL |
| 10 mM | 0.1771 mL | 0.8857 mL | 1.7715 mL | 3.543 mL | 4.4287 mL |
| 50 mM | 0.0354 mL | 0.1771 mL | 0.3543 mL | 0.7086 mL | 0.8857 mL |
| 100 mM | 0.0177 mL | 0.0886 mL | 0.1771 mL | 0.3543 mL | 0.4429 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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Prediction of Chinese green tea ranking by metabolite profiling using ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS).[Pubmed:27979208]
Food Chem. 2017 Apr 15;221:311-316.
Metabolomics profiling provides comprehensive picture of the chemical composition in teas therefore may be used to assess tea quality objectively and reliably. In the present experiment, water and methanol extracts of green teas from China were analyzed by ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS) with the objectives to establish a model for quality prediction and to identify potential marker metabolites. The blindly evaluated sensory score of green teas was predicted with excellent power (R(2)=0.87 and Q(2)=0.82) and accuracy (RMSEP=1.36) by a partial least-squares (PLS) regression model based on water extract. By contrast, methanol extract failed to reasonably predict the sensory scores. The levels in water extract of Neotheaflavin, Neotheaflavin 3-O-gallate, trigalloyl-beta-d-glucopyranose, myricetin 3,3'-digalactoside, catechin-(4alpha-->8)-epigallocatechin and kaempferol were significantly larger whereas those of theogallin and gallocatechin were less in the low (score<87) than in the high score (⩾90) group.
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