3-AcetylyunaconitineCAS# 80787-51-5 |
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| Cas No. | 80787-51-5 | SDF | Download SDF |
| PubChem ID | 134714921 | Appearance | Powder |
| Formula | C37H51NO12 | M.Wt | 701.80 |
| Type of Compound | Alkaloids | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | [(1S,2R,3R,4R,5S,6S,8R,10R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate | ||
| SMILES | CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)OC(=O)C)COC | ||
| Standard InChIKey | QXHJUYOYZPRGCF-AXVVCPPBSA-N | ||
| Standard InChI | InChI=1S/C37H51NO12/c1-9-38-17-34(18-43-4)24(48-19(2)39)14-25(45-6)37-23-15-35(42)26(46-7)16-36(50-20(3)40,28(31(37)38)29(47-8)30(34)37)27(23)32(35)49-33(41)21-10-12-22(44-5)13-11-21/h10-13,23-32,42H,9,14-18H2,1-8H3/t23-,24-,25+,26+,27-,28?,29+,30-,31-,32-,34+,35+,36-,37+/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. | ||
The roots of Aconitum episcopale Levl.
| Description | 3-Acetylyunaconitine is a natural product from Aconitum episcopale Levl. |
| Structure Identification | Acta Chimica Sinica, 1981, 39(5):445-452.Carbon-13 NMR spectroscopic studies of several new diterpenoid alkaloids from Aconitum species[Reference: WebLink]
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3-Acetylyunaconitine Dilution Calculator
3-Acetylyunaconitine Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 1.4249 mL | 7.1245 mL | 14.2491 mL | 28.4981 mL | 35.6227 mL |
| 5 mM | 0.285 mL | 1.4249 mL | 2.8498 mL | 5.6996 mL | 7.1245 mL |
| 10 mM | 0.1425 mL | 0.7125 mL | 1.4249 mL | 2.8498 mL | 3.5623 mL |
| 50 mM | 0.0285 mL | 0.1425 mL | 0.285 mL | 0.57 mL | 0.7125 mL |
| 100 mM | 0.0142 mL | 0.0712 mL | 0.1425 mL | 0.285 mL | 0.3562 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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Carbon-13 NMR spectroscopic studies of several new diterpenoid alkaloids from Aconitum species
Acta Chimica Sinica, 1981, 39(5):445-452.
The ~(13)C NMR spectra of aconitine-type diterpenoid alkaloids and derivatives: yunaconitine(3),vilmorrianines A (5), B (karakoline, 8), C(7)and D(9), soopaline (10), 3-Acetylyunaconitine (4) and 3-acetyl-vilmorrianine A (6) have been determined at 22.63 MHz in the PFT mode. These alkaloids were recently isolated from Aconitum species used in medicine in Yunnan. The structures of new alkaloids 3, 5, 7, 9 and 10 were further proved by ~(13)c NMR Spectra. The chemical shifts due to each carbon atoms in these compounds were assigned with the help of off-resonance decoupling, additive relationship and comparison with similar alkaloids (see Tables 1 and 3).
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