Physicochemical Properties
| Molecular Formula | C22H33NO3 |
| Molecular Weight | 359.5023 |
| Exact Mass | 359.246 |
| CAS # | 110064-71-6 |
| PubChem CID | 3133561 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 537.8±50.0 °C at 760 mmHg |
| Flash Point | 284.2±28.8 °C |
| Vapour Pressure | 0.0±3.2 mmHg at 25°C |
| Index of Refraction | 1.638 |
| LogP | 0.78 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 26 |
| Complexity | 695 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | AZAZKLKDEOMJBJ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3 |
| Chemical Name | 11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol |
| 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
| References |
[1]. Anti-inflammatory activity of diterpene alkaloids from Aconitum baikalense. Bull Exp Biol Med. 2014 Mar;156(5):665-8. [2]. Regeneratory characteristics of complex extract and isolated diterpene alkaloids of Aconitum baikalense. Bull Exp Biol Med. 2012 Feb;152(4):439-43. |
| Additional Infomation |
12-Epinapelline is a kaurane diterpenoid. 12-Epinapelline has been reported in Aconitum flavum, Aconitum japonicum, and other organisms with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~278.16 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.95 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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 2: ≥ 2.5 mg/mL (6.95 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 25.0 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 | 2.7816 mL | 13.9082 mL | 27.8164 mL | |
| 5 mM | 0.5563 mL | 2.7816 mL | 5.5633 mL | |
| 10 mM | 0.2782 mL | 1.3908 mL | 2.7816 mL |