| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| References | |
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| Additional Infomation |
Reports indicate that isoargentiol is present in agarwood (Aquilaria malaccensis) and Chinese agarwood (Aquilaria sinensis), and relevant data is available for reference.
Isoagarotetrol was isolated from agalwood "Jinkō" as one of six compounds (AH₁–AH₆). It is a 2-(2-phenylethyl)chromone derivative with a tetrahydrochromone ring system. The complete absolute configuration was determined by single-crystal X-ray analysis of its 5,8-diacetate derivative (6), which revealed a half-chair conformation for the hexenyl ring moiety, not a boat conformation. The circular dichroism (CD) spectrum of the di-p-methoxybenzoate (7) of Isoagarotetrol showed negative chirality, confirming the absolute structure. Unlike agarotetrol (which has a 7S,8R configuration), Isoagarotetrol has the configuration 5S,6R,7R,8S. 5,6,7,8-Tetrahydrochromones bearing a phenylethyl group at C₂, such as agarotetrol and Isoagarotetrol, are specific major components detected only in agalwood "Jinkō" and may be useful as reference compounds for identification and quality evaluation of agalwoods. [1] |
| Molecular Formula |
C17H18O6
|
|---|---|
| Molecular Weight |
318.32122
|
| Exact Mass |
318.11
|
| CAS # |
104060-61-9
|
| PubChem CID |
21636029
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| Appearance |
White to off-white solid
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| Density |
1.48±0.1 g/cm3(Predicted)
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| Boiling Point |
581.3±50.0 °C(Predicted)
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| Source |
Originated from plants: Thymelaeaceae Aquilaria sinensis (Lour.) Spreng.
|
| LogP |
0.227
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
|
| Heavy Atom Count |
23
|
| Complexity |
531
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| Defined Atom Stereocenter Count |
4
|
| SMILES |
O[C@H]1C2C(=O)C=C(CCC3=CC=CC=C3)OC=2[C@H](O)[C@@H](O)[C@@H]1O
|
| InChi Key |
CWMIROLCTHMEEO-XUWVNRHRSA-N
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| InChi Code |
InChI=1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15-,16+/m0/s1
|
| Chemical Name |
(5S,6R,7S,8R)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
|
| 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 (~157.1 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.85 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 (25.0 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 | 3.1415 mL | 15.7075 mL | 31.4149 mL | |
| 5 mM | 0.6283 mL | 3.1415 mL | 6.2830 mL | |
| 10 mM | 0.3141 mL | 1.5707 mL | 3.1415 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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