| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 100mg | |||
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| References | |
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| Additional Infomation |
Moluccanin is a novel coumarin lignan compound isolated from the stem slices of Aleurites moluccana, a plant in the Euphorbiaceae family.[1] The compound is a pale yellow crystal with a melting point of 220℃.[1] Based on the [M]+ ion at m/z 386.0997 in the mass spectrometry analysis, its molecular formula is determined to be C20H18O8.[1] Spectroscopic analysis (UV, IR, ¹H NMR, ¹³C NMR, 2D NMR, MS) confirms that its structure is a linear coumarin lignan compound, in which the C6-C3 (phenylpropanol) unit is connected to the C-6 and C-7 positions of the coumarin moiety through oxygen atoms.[1] Moluccanin was acetylated with acetic anhydride and pyridine to obtain diacetate derivatives.[1] Molucanin is the first reported coumarin lignan compound, whose nine-carbon unit is linearly fused to the coumarin core[1]
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| Molecular Formula |
C20H18O8
|
|---|---|
| Molecular Weight |
386.3521
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| Exact Mass |
386.1
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| CAS # |
116521-73-4
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| Related CAS # |
(S)-Moluccanin;121700-26-3
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| PubChem CID |
14134112
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| Appearance |
White to off-white solid powder
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| Source |
Originated from plants: Gramineae Leptochloa chinensis (Linn.) Nees
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| LogP |
2.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
28
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| Complexity |
581
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C2C([H])=C3C(C([H])=C([H])C(=O)O3)=C([H])C=2O[C@@]([H])(C([H])([H])O[H])[C@]1([H])C1C([H])=C(C(=C(C=1[H])OC([H])([H])[H])O[H])OC([H])([H])[H]
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| InChi Key |
GBLZBLJGCQTQMB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H18O8/c1-24-15-6-11(7-16(25-2)19(15)23)20-17(9-21)26-13-5-10-3-4-18(22)27-12(10)8-14(13)28-20/h3-8,17,20-21,23H,9H2,1-2H3
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| Chemical Name |
3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-7-one
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~50 mg/mL (~129.4 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.24 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (12.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1.25 mg/mL (3.24 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (12.5 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 1.25 mg/mL (3.24 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (12.5 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5883 mL | 12.9416 mL | 25.8833 mL | |
| 5 mM | 0.5177 mL | 2.5883 mL | 5.1767 mL | |
| 10 mM | 0.2588 mL | 1.2942 mL | 2.5883 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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