Physicochemical Properties
| Molecular Formula | C33H53NO8 |
| Molecular Weight | 591.77582 |
| Exact Mass | 591.377 |
| CAS # | 32685-93-1 |
| PubChem CID | 90479257 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 742.7±60.0 °C at 760 mmHg |
| Melting Point | 272-276℃ (methanol ) |
| Flash Point | 403.0±32.9 °C |
| Vapour Pressure | 0.0±5.6 mmHg at 25°C |
| Index of Refraction | 1.612 |
| LogP | 1.85 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 42 |
| Complexity | 1040 |
| Defined Atom Stereocenter Count | 17 |
| SMILES | C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)(C)O |
| InChi Key | DHQFYEJMFMYGCV-RRIRULBESA-N |
| InChi Code | InChI=1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1 |
| Chemical Name | (1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| 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) |
Biological Activity
| References |
[1]. Accumulation Dynamics of Alkaloids in Petilium eduardi. Chemistry of Natural Compounds, 2003, 39(6), 603–604. |
| Additional Infomation |
Edpetiline is a steroid saponin. Edpetiline has been reported in Fritillaria eduardii with data available. Edpetiline is an alkaloid isolated from the plant Petilium eduardi [1] The accumulation dynamics of Edpetiline in Petilium eduardi was investigated across different plant parts and growth stages; it was detected in roots, stems, leaves, and flowers, with the highest accumulation in roots during the flowering stage [1] Edpetiline belongs to the alkaloid class of natural products, and its chemical structure was identified via spectroscopic methods (e.g., NMR, mass spectrometry) in the study [1] |
Solubility Data
| Solubility (In Vitro) | DMSO : ~33.33 mg/mL (~56.32 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.22 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.5 mg/mL (4.22 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6898 mL | 8.4491 mL | 16.8982 mL | |
| 5 mM | 0.3380 mL | 1.6898 mL | 3.3796 mL | |
| 10 mM | 0.1690 mL | 0.8449 mL | 1.6898 mL |