| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 100mg | |||
| Other Sizes |
| ln Vitro |
The compound, 1,3,6-tri-O-galloyl-beta-D-glucose, was identified and quantified as a phenolic constituent in the kernels of eleven different black walnut (Juglans nigra L.) cultivars and one English walnut (Juglans regia L.) sample.
In the analyzed black walnut cultivars, it was detected in four cultivars: Hay (7.15 ± 0.52 µg/g), Jackson (7.71 ± 1.93 µg/g), Mystry (11.41 ± 2.17 µg/g), and Sparks 147 (9.38 ± 2.34 µg/g). It was not detected (below the limit of detection) in the other seven black walnut cultivars (Daniel, Davidson, Emma K, Kwik Krop, Schessler, Surprise, Tomboy). The English walnut sample contained a significantly higher concentration of 1,3,6-tri-O-galloyl-beta-D-glucose (38.20 ± 2.88 µg/g) compared to the black walnut cultivars where it was detected.[1] |
|---|---|
| References | |
| Additional Infomation |
Gallotannin is a class of hydrolyzable tannins formed by the condensation of the carboxyl group of gallic acid (and its polymer derivatives) with the hydroxyl group of a monosaccharide (most commonly glucose). It is functionally related to gallic acid.
It has been reported that 1,3,6-tri-O-galloyl-β-D-glucose is found in Euphorbia lunulata, and there is relevant data. 1,3,6-tri-O-galloyl-β-D-glucose is a gallic acid ester of phenolic compounds in walnut kernels. This study found that the concentration of this compound varied significantly among different black walnut varieties, and the content was higher in the British walnut samples analyzed. [1] |
| Molecular Formula |
C27H24O18
|
|---|---|
| Molecular Weight |
636.4687
|
| Exact Mass |
636.096
|
| CAS # |
18483-17-5
|
| Related CAS # |
1,3,6-Tri-O-galloyl-beta-D-glucose; 18483-17-5
|
| PubChem CID |
452707
|
| Appearance |
White to off-white solid powder
|
| Density |
1.98g/cm3
|
| Boiling Point |
1103.6ºC at 760mmHg
|
| Melting Point |
167℃
|
| Flash Point |
363ºC
|
| Vapour Pressure |
0mmHg at 25°C
|
| Index of Refraction |
1.823
|
| Source |
Originated from plants: other families
|
| LogP |
0.4
|
| Hydrogen Bond Donor Count |
11
|
| Hydrogen Bond Acceptor Count |
18
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
45
|
| Complexity |
1010
|
| Defined Atom Stereocenter Count |
5
|
| SMILES |
C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O
|
| InChi Key |
RNKMOGIPOMVCHO-SJMVAQJGSA-N
|
| InChi Code |
InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1
|
| Chemical Name |
[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: ~50 mg/mL (~78.6 mM; with ultrasonication)
H2O: ~2 mg/mL (~3.1 mM; with ultrasonication and warming by heating to 60°C) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (1.96 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 (1.96 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 (1.96 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 | 1.5712 mL | 7.8558 mL | 15.7117 mL | |
| 5 mM | 0.3142 mL | 1.5712 mL | 3.1423 mL | |
| 10 mM | 0.1571 mL | 0.7856 mL | 1.5712 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
