Physicochemical Properties
| Molecular Formula | C21H30O4 |
| Molecular Weight | 346.461 |
| Exact Mass | 346.214 |
| CAS # | 82684-06-8 |
| PubChem CID | 11336941 |
| Appearance | Light green to green solid powder |
| LogP | 5.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 25 |
| Complexity | 514 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | COC(=O)[C@]12CCCC(C)(C)C1CCC3=C2C(=C(O)C(=C3)C(C)C)O |
| InChi Key | IIJLVJMZYPZQLW-YCRPNKLZSA-N |
| InChi Code | InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(24)25-5)16(13)18(23)17(14)22/h11-12,15,22-23H,6-10H2,1-5H3/t15-,21+/m0/s1 |
| Chemical Name | methyl (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate |
| 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
| ln Vitro | In relation to Bacillus cereus, methyl carnosate exhibits antibacterial action [2]. |
| References |
[1]. Antioxidant Constituents in Sage (Salvia officinalis). J. Agric. Food Chem. 1994, 42, 005-609 005. [2]. Methyl carnosate, an antibacterial diterpene isolated from Salvia officinalis leaves. Nat Prod Commun. 2013 Apr;8(4):429-30. |
| Additional Infomation | Methyl Carnosate has been reported in Salvia officinalis, Salvia, and Salvia lanigera with data available. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~288.63 mM) Ethanol : ~50 mg/mL (~144.32 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.22 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8863 mL | 14.4317 mL | 28.8634 mL | |
| 5 mM | 0.5773 mL | 2.8863 mL | 5.7727 mL | |
| 10 mM | 0.2886 mL | 1.4432 mL | 2.8863 mL |