Physicochemical Properties
| Molecular Formula | C20H26O11 |
| Molecular Weight | 442.41 |
| Exact Mass | 442.148 |
| CAS # | 114420-67-6 |
| PubChem CID | 5459143 |
| Appearance | White to off-white solid powder |
| Density | 1.46g/cm3 |
| Boiling Point | 727.5ºC at 760mmHg |
| Flash Point | 253.8ºC |
| Vapour Pressure | 3.23E-22mmHg at 25°C |
| Index of Refraction | 1.606 |
| LogP | -0.5 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 31 |
| Complexity | 602 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CC(=O)OC[C@@H](COC(=O)/C=C/C1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O |
| InChi Key | YQKQOLPNKNHLBO-KRJCNZRASA-N |
| InChi Code | InChI=1S/C20H26O11/c1-11(22)28-9-14(30-20-19(27)18(26)17(25)15(8-21)31-20)10-29-16(24)7-4-12-2-5-13(23)6-3-12/h2-7,14-15,17-21,23,25-27H,8-10H2,1H3/b7-4+/t14-,15?,17?,18?,19?,20?/m0/s1 |
| Chemical Name | [(2S)-3-acetyloxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| 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]. Phenylpropanoids from Lilium Asiatic hybrid flowers and their anti-inflammatory activities. Applied Biological Chemistry. 2017; 60: 527–533. [2]. Purification of Phenylpropanoids from the Scaly Bulbs of Lilium Longiflorum by CPC and Determination of Their DPP-IV Inhibitory Potentials. ACS Omega. 2020 Feb 20; 5(8): 4050-4057. |
| Additional Infomation | Regaloside B has been reported in Lilium auratum and Lilium brownii with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (226.03 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.65 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 (5.65 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 3: ≥ 2.5 mg/mL (5.65 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 | 2.2603 mL | 11.3017 mL | 22.6035 mL | |
| 5 mM | 0.4521 mL | 2.2603 mL | 4.5207 mL | |
| 10 mM | 0.2260 mL | 1.1302 mL | 2.2603 mL |