Introduction：Basic information about CAS 130838-00-5|Scoparil, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Scoparil |
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| CAS Number | 130838-00-5 | Molecular Weight | 426.588 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 544.3±30.0 °C at 760 mmHg |
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| Molecular Formula | C27H38O4 | Melting Point | / |
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| MSDS | / | Flash Point | 173.8±18.1 °C |
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Names
| Name | (1R,4S,4aR,8R,8aR)-8-(Hydroxymethyl)-4-[(3E)-5-hydroxy-3-methyl-3 -penten-1-yl]-4a,8-dimethyl-3-methylenedecahydro-1-naphthalenyl b enzoate |
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| Synonym | More Synonyms |
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Scoparil BiologicalActivity
| Description | Scoparinol (Scopadiol) is a diterpene isolated from Scoparia dulcis that has significant analgesic and anti-inflammatory activities[1]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology |
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| References | [1]. Ahmed M, et al. Analgesic, diuretic, and anti-inflammatory principle from Scoparia dulcis. Pharmazie. 2001 Aug;56(8):657-60. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 544.3±30.0 °C at 760 mmHg |
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| Molecular Formula | C27H38O4 |
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| Molecular Weight | 426.588 |
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| Flash Point | 173.8±18.1 °C |
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| Exact Mass | 426.277008 |
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| PSA | 66.76000 |
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| LogP | 6.57 |
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| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
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| Index of Refraction | 1.560 |
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| InChIKey | WGSYIFPPMZUQAN-WAUMKTBASA-N |
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| SMILES | C=C1CC(OC(=O)c2ccccc2)C2C(C)(CO)CCCC2(C)C1CCC(C)=CCO |
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Safety Information
Synonyms
| (1R,4S,4aR,8R,8aR)-8-(Hydroxymethyl)-4-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-4a,8-dimethyl-3-methylenedecahydro-1-naphthalenyl benzoate |
| 1-Naphthalenemethanol, 8-(benzoyloxy)decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1R,4aR,5S,8R,8aR)- |
