Physicochemical Properties
| Molecular Formula | C29H50O6 |
| Molecular Weight | 494.70 |
| Exact Mass | 494.36 |
| CAS # | 80483-89-2 |
| PubChem CID | 11409314 |
| Appearance | White to off-white solid powder |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 643.0±55.0 °C at 760 mmHg |
| Melting Point | 193-194ºC |
| Flash Point | 203.2±25.0 °C |
| Vapour Pressure | 0.0±4.3 mmHg at 25°C |
| Index of Refraction | 1.533 |
| LogP | 3.65 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 35 |
| Complexity | 770 |
| Defined Atom Stereocenter Count | 13 |
| SMILES | CC[C@H]([C@@H]([C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O)C(C)C |
| InChi Key | HJIKODJJEORHMZ-DNVPGCTHSA-N |
| InChi Code | InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-,26-,28+,29+/m0/s1 |
| Chemical Name | (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3S,4S,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-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 |
| 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
| ln Vitro | (22S,23S)-Homobrassinolide increases the absorption of sucrose and alpha-aminoisobutyric acid while mildly stimulating ferricyanide reduction [2]. |
| References |
[1]. Akt-dependent anabolic activity of natural and synthetic brassinosteroids in rat skeletal muscle cells. J Med Chem. 2011;54(12):4057-4066. [2]. Effects of (22S,23S)-Homobrassinolide and Related Compounds on Membrane Potential and Transport of Egeria Leaf Cells. Plant Physiol. 1990;93(3):1268-1271. |
Solubility Data
| Solubility (In Vitro) | DMSO: 33.33 mg/mL (67.37 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.05 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 | 2.0214 mL | 10.1071 mL | 20.2143 mL | |
| 5 mM | 0.4043 mL | 2.0214 mL | 4.0429 mL | |
| 10 mM | 0.2021 mL | 1.0107 mL | 2.0214 mL |