HuagongsheHuagongshe Chemistry Print Report · For research reference only
Palustric acid
Palustric · Palustricacid · Abieta-8,13-dien-18-oic acid · PALUSTRICACID ISO 9001：2015 REACH · 1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylicaci · (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carboxylic acid · 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
Identifiers & Physical Properties
| CAS No. | 1945-53-5 |
|---|---|
| Molecular formula | C20H30O2 |
| Average molar mass | 302.5 g/mol |
| Monoisotopic mass | 302.2245802 g/mol |
| SMILES | CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 |
| InChIKey | MLBYBBUZURKHAW-MISYRCLQSA-N |
| PubChem CID | 443613 |
| ChEBI | CHEBI:29660 |
| DTXSID | DTXSID90858759 |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 554 |
| Melting point | 162-167° |
| alpha | D +71.6° |
| Boiling point | 383.47°C (rough estimate) |
| Density | 1.0434 (rough estimate) |
| Refractive index | 1.4800 (estimate) |
| Storage conditions | Amber Vial, Refrigerator, Under inert atmosphere |
| Solubility | Chloroform (Slightly), DMSO (Slightly, Sonicated), Ethanol (Slightly, Sonicated) |
| Physical state | Solid |
| pKa (acidity coefficient) | 4.67±0.60(Predicted) |
| Color | White to Off-White |
| Stability | Light Sensitive |
| LogP (partition coefficient) | 6.620 (est) |
| FDA UNII | A2QAG30V3T |
| EPA Substance Registry System | Palustric acid (1945-53-5) |
Applications & Uses
Uses
Palustric Acid is one of the components of pine oleoresin. It is an abietane-type of diterpene resin acid and has antibacterial, cardiovascular, and antioxidant properties.