Physicochemical Properties
| Molecular Formula | C43H49NO18 |
| Molecular Weight | 867.8451 |
| Exact Mass | 867.294 |
| CAS # | 11088-09-8 |
| PubChem CID | 601100 |
| Appearance | White to off-white solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 871.5±65.0 °C at 760 mmHg |
| Melting Point | 158-163ºC |
| Flash Point | 480.9±34.3 °C |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.589 |
| LogP | 6.24 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 14 |
| Heavy Atom Count | 62 |
| Complexity | 1800 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | ZOCKGJZEUVPPPI-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3 |
| Chemical Name | [20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate |
| 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 |
| 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]. Establishment of Tripterygium wilfordii Hook. f. Hairy root culture and optimization of its culture conditions for the production of triptolide and wilforine. J Microbiol Biotechnol. 2014 Jun 28;24(6):823-34. [2]. Elicitation and in situ adsorption enhanced secondary metabolites production of Tripterygium wilfordii Hook. f. adventitious root fragment liquid cultures in shake flask and a modified bubble column bioreactor. Bioprocess Biosyst Eng. 2014 Apr;37(4):641-50. |
| Additional Infomation | 26-Deoxywilfordine has been reported in Tripterygium wilfordii and Tripterygium hypoglaucum with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~57.61 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.88 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 (2.88 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 | 1.1523 mL | 5.7614 mL | 11.5227 mL | |
| 5 mM | 0.2305 mL | 1.1523 mL | 2.3045 mL | |
| 10 mM | 0.1152 mL | 0.5761 mL | 1.1523 mL |