NeoligularidineCAS# 90364-91-3 |
- Ligularidine
Catalog No.:BCN2141
CAS No.:60872-63-1
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 90364-91-3 | SDF | Download SDF |
| PubChem ID | 6440920 | Appearance | Cryst. |
| Formula | C21H29NO7 | M.Wt | 407.46 |
| Type of Compound | Alkaloids | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | [(1R,4Z,6R,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate | ||
| SMILES | CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)OC(=O)C)C | ||
| Standard InChIKey | ZOIAVVNLMDKOIV-JNNPZHNTSA-N | ||
| Standard InChI | InChI=1S/C21H29NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,13,17H,8-12H2,1-5H3/b15-6-,16-7-/t13-,17-,21+/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 | Neoligularidine is a natural product from Ligularia dentata. |
| Structure Identification | Chemical & Pharmaceutical Bulletin, 1984 , 32 (2) :475-482.Studies on Constituents of Crude Drugs. XV. New Pyrrolizidine Alkaloids from Ligularia dentata[Reference: WebLink]
J Chromatogr A. 2004 Nov 12;1056(1-2):91-7.On-line structure characterization of pyrrolizidine alkaloids in Onosma stellulatum and Emilia coccinea by liquid chromatography–ion-trap mass spectrometry[Pubmed: 15595537]On-line structure characterization of pyrrolizidine alkaloids in two various plant species (Onosma stellulatum W.K., family Boraginaceae and Emilia coccinea Sims., family Compositae) was performed by a newly elaborated RP-HPLC ion trap MS method with atmospheric pressure chemical ionization (APCI) interface.
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Neoligularidine Dilution Calculator
Neoligularidine Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.4542 mL | 12.2711 mL | 24.5423 mL | 49.0846 mL | 61.3557 mL |
| 5 mM | 0.4908 mL | 2.4542 mL | 4.9085 mL | 9.8169 mL | 12.2711 mL |
| 10 mM | 0.2454 mL | 1.2271 mL | 2.4542 mL | 4.9085 mL | 6.1356 mL |
| 50 mM | 0.0491 mL | 0.2454 mL | 0.4908 mL | 0.9817 mL | 1.2271 mL |
| 100 mM | 0.0245 mL | 0.1227 mL | 0.2454 mL | 0.4908 mL | 0.6136 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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On-line structure characterization of pyrrolizidine alkaloids in Onosma stellulatum and Emilia coccinea by liquid chromatography-ion-trap mass spectrometry.[Pubmed:15595537]
J Chromatogr A. 2004 Nov 12;1056(1-2):91-7.
On-line structure characterization of pyrrolizidine alkaloids in two various plant species (Onosma stellulatum W.K., family Boraginaceae and Emilia coccinea Sims., family Compositae) was performed by a newly elaborated RP-HPLC ion trap MS method with atmospheric pressure chemical ionization (APCI) interface. Different PAs (N-oxides, free bases, otonecine alkaloids) isolated were separated on Waters XTerra C18 column using a gradient elution. The combination of a CE-SPE with multiple isolation and fragmentation steps for specific masses in ion trap MS detector enabled fast and sensitive analysis of various types of PAs (N-oxides and free bases). In O. stellulatum, spectra 12 various types of structures (13 different alkaloids) have been determined for the first time: leptanthine-N-oxide, lycopsamine-N-oxide, heliospathuline, lycopsamine, trachelanthamine-N-oxide, dihydroechinatine, leptanthine, heliospathuline-N-oxide, 7-acetylintermedine, uplandicine, echimidine and echimidine-N-oxide. In E. coccinea, the following types of PAs were found: platyphylline-N-oxide, platyphylline (three stereoisomers with the same MS(n) spectrum), ligularidine, Neoligularidine, neosenkirkine and also previously reported senkirkine. The method elaborated can be applied in the structural analysis of PAs in newly examined plant materials or food products but further analysis is needed to determine the stereochemistry in details.
