Bakkenolide DbCAS# 226711-23-5 |
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 226711-23-5 | SDF | Download SDF |
| PubChem ID | 10741005 | Appearance | Powder |
| Formula | C21H28O7S | M.Wt | 424.50 |
| Type of Compound | Sesquiterpenoids | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | [(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-3-[(R)-methylsulfinyl]prop-2-enoate | ||
| SMILES | CC1CCC(C2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C)OC(=O)C=CS(=O)C | ||
| Standard InChIKey | NOBDIGGORMPBLK-VVLKNSNYSA-N | ||
| Standard InChI | InChI=1S/C21H28O7S/c1-12-6-7-15(28-16(23)8-9-29(5)25)17-18(27-14(3)22)21(11-20(12,17)4)13(2)10-26-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8-/t12-,15-,17+,18+,20+,21+,29+/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 roots of Petasites formosanus.
| Description | 1. Bakkenolide Db may have cytotoxicity. |
Bakkenolide Db Dilution Calculator
Bakkenolide Db Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.3557 mL | 11.7786 mL | 23.5571 mL | 47.1143 mL | 58.8928 mL |
| 5 mM | 0.4711 mL | 2.3557 mL | 4.7114 mL | 9.4229 mL | 11.7786 mL |
| 10 mM | 0.2356 mL | 1.1779 mL | 2.3557 mL | 4.7114 mL | 5.8893 mL |
| 50 mM | 0.0471 mL | 0.2356 mL | 0.4711 mL | 0.9423 mL | 1.1779 mL |
| 100 mM | 0.0236 mL | 0.1178 mL | 0.2356 mL | 0.4711 mL | 0.5889 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 bakkenolides from the root of Petasites formosanus and their cytotoxicity.[Pubmed:10400491]
Chem Pharm Bull (Tokyo). 1999 Mar;47(3):375-82.
Thirty-two new bakkenolides, bakkenolides-Db (1)--Dh(7), -Fa(8), -Fb(9), -I(10)--M(14), -Na(15), -Nb(16), -O(17)--T(22), -Ua (23), -Ub(24), -V(25)--X(27), -Ya(28), -Yb(29), -Za(30), -Zb(31) and -III(32), from the roots of Petasites formosanus together with thirty known compounds were isolated. The structures were characterized by spectral analysis. The locations, C-1 and/or C-9 of bakkenolide skeleton, of the substituents, such as acetoxy, isobutyroyloxy and isovaleroyloxy groups, can be determined by the chemical shifts of their signals and the H-1 and/H-9 in the 1H-NMR spectra. The cytotoxicity was also discussed.
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