Physicochemical Properties
| Molecular Formula | C30H48O5 |
| Molecular Weight | 488.6991 |
| Exact Mass | 488.35 |
| CAS # | 3779-59-7 |
| PubChem CID | 16020000 |
| Appearance | White to off-white solid powder |
| Density | 1.22g/cm3 |
| Boiling Point | 610.6ºC at 760mmHg |
| Flash Point | 323.1ºC |
| Index of Refraction | 1.589 |
| LogP | 4.658 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 35 |
| Complexity | 962 |
| Defined Atom Stereocenter Count | 13 |
| SMILES | C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O)C)O2)C(C)(C)O |
| InChi Key | CNBHUROFMYCHGI-IEUUZZHOSA-N |
| InChi Code | InChI=1S/C30H48O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-23,31-33H,8-15H2,1-7H3/t16-,17-,18+,19+,20+,21-,22+,23-,26-,27-,28-,29+,30+/m1/s1 |
| Chemical Name | (1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-2,9-diol |
| 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]. Cancer preventive agents. Part 1: chemopreventive potential of cimigenol, cimigenol-3,15-dione, and related compounds. Bioorg Med Chem. 2005 Feb 15;13(4):1403-8. |
| Additional Infomation |
Cimigenol is a triterpenoid. It derives from a hydride of a cycloartane. Cimigenol has been reported in Actaea europaea, Actaea dahurica, and other organisms with data available. See also: Black Cohosh (part of). |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~204.62 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.12 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 | 2.0462 mL | 10.2312 mL | 20.4625 mL | |
| 5 mM | 0.4092 mL | 2.0462 mL | 4.0925 mL | |
| 10 mM | 0.2046 mL | 1.0231 mL | 2.0462 mL |