3-DeoxyaconitineCAS# 3175-95-9 |
Quality Control & MSDS
3D structure
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| Cas No. | 3175-95-9 | SDF | Download SDF |
| PubChem ID | 21598997 | Appearance | Powder |
| Formula | C34H47NO10 | M.Wt | 629.74 |
| 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,5R,6S,7S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate | ||
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)COC | ||
| Standard InChIKey | PHASMOUKYDUAOZ-IXLJIIPOSA-N | ||
| Standard InChI | InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/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. | ||
| Description | 3-Deoxyaconitine has toxicity. |
| Structure Identification | Acta Crystallogr Sect E Struct Rep Online. 2010 May 15;66(Pt 6):o1342.3-Deoxyaconitine from the root of Aconitum Carmichaeli Debx.[Pubmed: 21579431]
Chinese Traditional Patent Medicine , 2011 , 33 (3) :479-482.Determination of aconitine and 3-deoxyaconitine in fried samples of Aconitum pendulum Busch by HPLC[Reference: WebLink]To analyze the influences on the contents of aconitine and 3-Deoxyaconitine in Aconitum pendulum Busch by different processing methods used in Tibetan medicine,Qiang medicine and Hui medicine,and to observe the relativity between processing and toxicity. |
3-Deoxyaconitine Dilution Calculator
3-Deoxyaconitine Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 1.588 mL | 7.9398 mL | 15.8796 mL | 31.7591 mL | 39.6989 mL |
| 5 mM | 0.3176 mL | 1.588 mL | 3.1759 mL | 6.3518 mL | 7.9398 mL |
| 10 mM | 0.1588 mL | 0.794 mL | 1.588 mL | 3.1759 mL | 3.9699 mL |
| 50 mM | 0.0318 mL | 0.1588 mL | 0.3176 mL | 0.6352 mL | 0.794 mL |
| 100 mM | 0.0159 mL | 0.0794 mL | 0.1588 mL | 0.3176 mL | 0.397 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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3-Deoxy-aconitine from the root of Aconitum Carmichaeli Debx.[Pubmed:21579431]
Acta Crystallogr Sect E Struct Rep Online. 2010 May 15;66(Pt 6):o1342.
THE TITLE COMPOUND (SYSTEMATIC NAME: 8beta-acet-oxy-14alpha-benzo-yloxy-N-ethyl-13beta,15alpha-dihydr-oxy-1alpha,6alph a,16beta-trimeth-oxy-4beta-methoxy-methyl-eneaconitane), C(34)H(47)NO(10), is a typical aconitine-type C(19)-diterpenoid alkaloid, and was isolated from the roots of the Aconitum carmichaeli Debx. The mol-ecule has an aconitine carbon skeleton with four six-membered rings and two five-membered rings, whose geometry is similar to these observed in other C(19)-diterpenoid alkaloids; both of five-membered rings have the envelope configurations and the six-membered N-containing heterocyclic ring displays a chair conformation. Intra-molecular O-Hcdots, three dots, centeredO hydrogen bonding occurs. Weak inter-molecular C-Hcdots, three dots, centeredO hydrogen bonding is observed in the crystal structure.
