CAS 6812-81-3|Roburic Acid
Introduction：Basic information about CAS 6812-81-3|Roburic Acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Roburic Acid | ||
|---|---|---|---|
| CAS Number | 6812-81-3 | Molecular Weight | 440.701 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 528.5±49.0 °C at 760 mmHg |
| Molecular Formula | C30H48O2 | Melting Point | / |
| MSDS | / | Flash Point | 424.9±25.0 °C |
Names
| Name | roburic acid |
|---|---|
| Synonym | More Synonyms |
Roburic Acid BiologicalActivity
| Description | Roburic acid, a tetracyclic triterpenoid found in Gentiana macrophylla, acts as an inhibitor of COX, with IC50s of 5 and 9 μM for COX-1 and COX-2, respectively[1]. |
|---|---|
| Related Catalog | Signaling Pathways >>Immunology/Inflammation >>COX |
| Target | COX-1:5 μM (IC50) COX-2:9 μM (IC50) |
| References | [1]. Cao H, et al. Discovery of cyclooxygenase inhibitors from medicinal plants used to treat inflammation. Pharmacol Res. 2010 Jun;61(6):519-24. |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 528.5±49.0 °C at 760 mmHg |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.701 |
| Flash Point | 424.9±25.0 °C |
| Exact Mass | 440.365417 |
| PSA | 37.30000 |
| LogP | 11.09 |
| Vapour Pressure | 0.0±3.0 mmHg at 25°C |
| Index of Refraction | 1.532 |
| InChIKey | RPPYCVULPFKBOG-CSHKLQQTSA-N |
| SMILES | C=C(C)C1CCC2(C)C(CC=C3C4C(C)C(C)CCC4(C)CCC32C)C1(C)CCC(=O)O |
Safety Information
| Safety Phrases | 24/25 |
|---|
Synonyms
| 1-chrysenepropanoic acid, 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-1,4a,4b,6a,9,10-hexamethyl-2-(1-methylethenyl)-, (1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)- |
| 3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-Hexamethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-1-yl]propanoic acid |
| Roburinsaeure |
| 3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-2-Isopropenyl-1,4a,4b,6a,9,10-hexamethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-1-chrysenyl]propanoic acid |
| Roburic Acid |
| Robursaeure |
