(+)-trans-KhellactoneCAS# 20516-17-0 |
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Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 20516-17-0 | SDF | Download SDF |
| PubChem ID | 11436940.0 | Appearance | Powder |
| Formula | C14H14O5 | M.Wt | 262.26 |
| Type of Compound | Coumarins | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | (9S,10R)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one | ||
| SMILES | CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O)C | ||
| Standard InChIKey | HKXQUNNSKMWIKJ-YPMHNXCESA-N | ||
| Standard InChI | InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13+/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. | ||
(+)-trans-Khellactone Dilution Calculator
(+)-trans-Khellactone Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 3.813 mL | 19.065 mL | 38.1301 mL | 76.2602 mL | 95.3252 mL |
| 5 mM | 0.7626 mL | 3.813 mL | 7.626 mL | 15.252 mL | 19.065 mL |
| 10 mM | 0.3813 mL | 1.9065 mL | 3.813 mL | 7.626 mL | 9.5325 mL |
| 50 mM | 0.0763 mL | 0.3813 mL | 0.7626 mL | 1.5252 mL | 1.9065 mL |
| 100 mM | 0.0381 mL | 0.1907 mL | 0.3813 mL | 0.7626 mL | 0.9533 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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Simultaneously enantiospecific determination of (+)-trans-khellactone, (+/-)-praeruptorin A, (+/-)-praeruptorin B, (+)-praeruptorin E, and their metabolites, (+/-)-cis-khellactone, in rat plasma using online solid phase extraction-chiral LC-MS/MS.[Pubmed:24095802]
J Pharm Biomed Anal. 2014 Jan;88:269-77.
Many chiral drugs are used as the racemic mixtures in clinical practice. The occurrence of enantioselectively pharmacological activities calls for the development of enantiospecific analytical approaches during pharmacokinetic studies of enantiomers. Sample preparation plays a key role during quantitative analysis of biological samples. In current study, a rapid and reliable online solid phase extraction-chiral high performance liquid chromatography-tandem mass spectrometry (online SPE-chiral LC-MS/MS) method was developed for the simultaneously enantiospecific quantitation of (+)-trans-Khellactone (dTK), (+/-)-cis-khellactone (d/lCK), (+/-)-praeruptorin A (d/lPA), (+/-)-praeruptorin B (d/lPB) and (+)-praeruptorin E (dPE), the main active angular-type pyranocoumarins (APs) in Peucedani Radix (Chinese name: Qian-hu) or the major metabolites of those APs, in rat plasma. The validation assay results described here show good selectivity and enantiospecificity, extraction efficiency, accuracy and precision with quantification limits (LOQs) of 2.57, 1.28, 1.28, 1.88, 4.16, 4.16 and 4.18ngmL(-1) for dTK, lCK, dCK, dPA, dPB, lPB and dPE, respectively, while lPA was not detected in rat plasma due to the carboxylesterase(s)-mediated hydrolysis. In addition, the validated system was satisfactorily applied to characterize the pharmacokinetic properties of those components in normal and chronic obstructive pulmonary disease (COPD) rats following oral administration of Qian-hu extract. dCK and lCK were observed as the main herb-related compounds in plasma. Enantioselectively pharmacokinetic profiles occurred for dCK vs lCK, dPA vs lPA, and dPB vs lPB in either normal or COPD rats. The proposed whole system is expected to be a preferable analytical tool for in vivo study of chiral drugs, in particular for the characterization of enantioselectively pharmacokinetic profiles.
Coumarins from Peucedanum wulongense.[Pubmed:12931850]
J Asian Nat Prod Res. 2003 Sep;5(3):183-7.
A new angular dihydropyrancoumarin named wulongensin A, along with five known coumarins, (-)-anomalin, umbelliferone, (-)-smyrinol, 3'(S),4'(S)-disenecioyloxy-3',4'-dihydroseselin, (+)-trans-Khellactone, was isolated from the root of Peucedanum wulongense. The structure of wulongensin A was established as 3'(R)-angeloyloxy-4'(R)-isovaleryloxy-3',4'-dihydroseselin by spectroscopic methods and the absolute configurations were deduced by chemical correlations with known compounds.
