ScopolineCAS# 487-27-4 |
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| Cas No. | 487-27-4 | SDF | Download SDF |
| PubChem ID | 443009 | Appearance | Oil |
| Formula | C8H13NO2 | M.Wt | 155.20 |
| Type of Compound | Alkaloids | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| SMILES | CN1C2CC3CC1C(C2O)O3 | ||
| Standard InChIKey | MEGPURSNXMUDAE-IKTQEEBSSA-N | ||
| Standard InChI | InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3/t4?,5?,6?,7-,8?/m0/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. | ||
The herbs of Atropa belladonna
| Description | 1. Scopoline, tropinol, ecgonine, and granatoline derivatives are therapeutic agents of the pyrrole and pyridine group. 2. Scopoletin and scopolin can contribute to a cooperative effect causing plant inhibition in the natural environment and therefore be a factor of ecological significance. 3. Scopoline has fungitoxic effects, it is inhibitory to Sclerotinia at similar doses to scopoletin; as scopolin is known to be less phytotoxic than ayapin and scopoletin, its accumulation may well confer head rot resistance with minimal plant damage and might be one of the bases for resistance to Sclerotinia. |
| Targets | Antifection |
Scopoline Dilution Calculator
Scopoline Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 6.4433 mL | 32.2165 mL | 64.433 mL | 128.866 mL | 161.0825 mL |
| 5 mM | 1.2887 mL | 6.4433 mL | 12.8866 mL | 25.7732 mL | 32.2165 mL |
| 10 mM | 0.6443 mL | 3.2216 mL | 6.4433 mL | 12.8866 mL | 16.1082 mL |
| 50 mM | 0.1289 mL | 0.6443 mL | 1.2887 mL | 2.5773 mL | 3.2216 mL |
| 100 mM | 0.0644 mL | 0.3222 mL | 0.6443 mL | 1.2887 mL | 1.6108 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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The distorted tropane of scopoline.[Pubmed:23640872]
Chemphyschem. 2013 Jun 24;14(9):1830-5.
The structural isomerization of scopine into Scopoline (oscine) has been observed in a supersonic jet expansion using microwave spectroscopy. The rotational spectrum evidences a single structure in the gas phase, providing a first description of the (three-ring) structurally distorted tropane in Scopoline. The absence of rotational signatures of any scopine conformation suggests a practically quantitative isomerization at the vaporization temperatures of the experiment (ca. 90 degrees C). The determined rotational parameters of Scopoline reveal the structural consequences of the intramolecular cyclation of scopine, which breaks the original epoxy group and creates a new ether bridge and a 7beta-hydroxytropane configuration. The hydroxy group further stabilizes the molecule by an O-HN intramolecular hydrogen bond, which, in turn, forces the N-methyl group to the less stable axial form. Supporting ab initio (MP2) and DFT (B3LYP, M06-2X) calculations are included.
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