Physicochemical Properties
| Molecular Formula | C24H32O10 |
| Molecular Weight | 480.5049 |
| Exact Mass | 480.199 |
| CAS # | 25161-41-5 |
| PubChem CID | 65717 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 538.7±50.0 °C at 760 mmHg |
| Flash Point | 229.0±30.2 °C |
| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
| Index of Refraction | 1.531 |
| LogP | 1.91 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 13 |
| Heavy Atom Count | 34 |
| Complexity | 915 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | CC(C)CC(=O)O[C@H]1[C@H]2C(=C[C@@H]([C@]23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C |
| InChi Key | FWKBQAVMKVZEOT-STCFVSJZSA-N |
| InChi Code | InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1 |
| Chemical Name | [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate |
| 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: 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) |
Biological Activity
| ln Vitro | Acvaltrate differently inhibits rat P-type ATPase activity in vitro. At 100 µM, 60.7±7.3% blockage of rat H+/K+-ATPase can be accomplished [1]. |
| References |
[1]. In vitro effect of valepotriates isolated from Valeriana glechomifolia on rat P-type ATPases. Planta Med. 2011 Oct;77(15):1702-6. |
| Additional Infomation |
Acevaltrate is a fatty acid ester. Acevaltratum has been reported in Valeriana sitchensis, Fedia cornucopiae, and other organisms with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~208.12 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.33 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0812 mL | 10.4058 mL | 20.8117 mL | |
| 5 mM | 0.4162 mL | 2.0812 mL | 4.1623 mL | |
| 10 mM | 0.2081 mL | 1.0406 mL | 2.0812 mL |