6alpha-Chloro-5beta-hydroxywithaferin ACAS# 52329-20-1 |
Quality Control & MSDS
3D structure
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| Cas No. | 52329-20-1 | SDF | Download SDF |
| PubChem ID | 70686220 | Appearance | Powder |
| Formula | C28H39ClO6 | M.Wt | 507.06 |
| Type of Compound | Steroids | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | (2R)-2-[(1S)-1-[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-6-chloro-4,5-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one | ||
| SMILES | CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)Cl)C)CO | ||
| Standard InChIKey | YCFROFMCBMCGDC-PNJOURQRSA-N | ||
| Standard InChI | InChI=1S/C28H39ClO6/c1-14-11-21(35-25(33)17(14)13-30)15(2)18-5-6-19-16-12-22(29)28(34)24(32)8-7-23(31)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-22,24,30,32,34H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,22-,24-,26+,27-,28-/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 Physali alkekengi
| Structure Identification | Phytochem Lett. 2011 Dec;4(4):411-414.Chlorinated Withanolides from Withania somnifera.[Pubmed: 22125584 ]
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6alpha-Chloro-5beta-hydroxywithaferin A Dilution Calculator
6alpha-Chloro-5beta-hydroxywithaferin A Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 1.9722 mL | 9.8608 mL | 19.7215 mL | 39.4431 mL | 49.3038 mL |
| 5 mM | 0.3944 mL | 1.9722 mL | 3.9443 mL | 7.8886 mL | 9.8608 mL |
| 10 mM | 0.1972 mL | 0.9861 mL | 1.9722 mL | 3.9443 mL | 4.9304 mL |
| 50 mM | 0.0394 mL | 0.1972 mL | 0.3944 mL | 0.7889 mL | 0.9861 mL |
| 100 mM | 0.0197 mL | 0.0986 mL | 0.1972 mL | 0.3944 mL | 0.493 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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Chlorinated Withanolides from Withania somnifera.[Pubmed:22125584]
Phytochem Lett. 2011 Dec;4(4):411-414.
A chlorinated withanolide, 6alpha-chloro-5beta,17alpha-dihydroxywithaferin A (1), and nine known withanolides, 6alpha-Chloro-5beta-hydroxywithaferin A (2), (22R)-5beta-formyl-6beta,27-dihydroxy-1-oxo-4-norwith-24-enolide, withaferin A, 2,3-dihydrowithaferin A, 3-methoxy-2,3-dihydrowithaferin A, 2,3-didehydrosomnifericin, withanone, withanoside IV and withanoside X, were isolated from Withania somnifera (Solanaceae). All structures were elucidated on the basis of spectroscopic methods (IR, HRESIMS, 1D/2D NMR). X-ray crystallography confirmed the absolute configuration of 1.
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