Physicochemical Properties
Molecular Formula | C38H42O9 |
Molecular Weight | 642.73 |
Exact Mass | 642.282 |
CAS # | 218916-51-9 |
PubChem CID | 101071473 |
Appearance | White to off-white solid powder |
Density | 1.2±0.1 g/cm3 |
Boiling Point | 697.6±55.0 °C at 760 mmHg |
Flash Point | 284.6±31.5 °C |
Vapour Pressure | 0.0±2.2 mmHg at 25°C |
Index of Refraction | 1.582 |
LogP | 8.36 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 10 |
Heavy Atom Count | 47 |
Complexity | 1300 |
Defined Atom Stereocenter Count | 8 |
SMILES | C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H](C(=C)[C@@H](C[C@H]4[C@H](C4(C)C)/C=C(\C2=O)/C)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C |
InChi Key | AFRGWGGHJYMSDU-NKGNXCQNSA-N |
InChi Code | InChI=1S/C38H42O9/c1-21-18-28-29(37(28,6)7)19-30(45-35(42)26-14-10-8-11-15-26)23(3)33(44-24(4)39)31-32(46-36(43)27-16-12-9-13-17-27)22(2)20-38(31,34(21)41)47-25(5)40/h8-18,22,28-33H,3,19-20H2,1-2,4-7H3/b21-18-/t22-,28+,29-,30+,31+,32-,33-,38+/m0/s1 |
Chemical Name | [(1R,3Z,5R,7S,9R,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] 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 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]. Euphorbia factor L2 induces apoptosis in A549 cells through the mitochondrial pathway. Acta Pharm Sin B. 2017 Jan;7(1):59-64. |
Additional Infomation | [(1R,3Z,5R,7S,9R,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate has been reported in Euphorbia lathyris with data available. |
Solubility Data
Solubility (In Vitro) | DMSO : 83.33 mg/mL (129.65 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6.25 mg/mL (9.72 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 62.5 mg/mL clear DMSO stock solution to 900 μL 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 | 1.5559 mL | 7.7793 mL | 15.5586 mL | |
5 mM | 0.3112 mL | 1.5559 mL | 3.1117 mL | |
10 mM | 0.1556 mL | 0.7779 mL | 1.5559 mL |