Introduction：Basic information about CAS 1748-81-8|Carabrone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Carabrone |
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| CAS Number | 1748-81-8 | Molecular Weight | 248.318 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 397.4±15.0 °C at 760 mmHg |
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| Molecular Formula | C15H20O3 | Melting Point | / |
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| MSDS | / | Flash Point | 176.5±20.4 °C |
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Names
| Name | (3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one |
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| Synonym | More Synonyms |
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Carabrone BiologicalActivity
| Description | Carabrone is isolated from the fruits of Carpesium abrotanoides , is a well-known sesquiterpene and exhibits significant anti-bacterial and anti-tumor activities[1].Carabrone exhibits antifungal activities in vitro and in vivo against Botrytis cinerea, Colletotrichum lagenarium(EC50=7.10 μg/mL) and Erysiphe graminis[2]. |
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| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial |
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| Target | EC50: 7.10 μg/mL (Colletotrichum lagenarium)[1] |
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| References | [1]. Wang H, et al. Synthesis, antifungal activities and qualitative structure activity relationship of carabrone hydrazone derivatives as potential antifungal agents. [2]. Feng JT, et al. Synthesis and antifungal activity of carabrone derivatives. Molecules. 2010 Sep 16;15(9):6485-92. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 397.4±15.0 °C at 760 mmHg |
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| Molecular Formula | C15H20O3 |
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| Molecular Weight | 248.318 |
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| Flash Point | 176.5±20.4 °C |
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| Exact Mass | 248.141251 |
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| PSA | 43.37000 |
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| LogP | 1.40 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.525 |
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| InChIKey | AGIQIKMGJVLKMA-NLRWUALESA-N |
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| SMILES | C=C1C(=O)OC2CC3(C)C(CCC(C)=O)C3CC12 |
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Safety Information
Synonyms
| 2H-Cyclopropa[f]benzofuran-2-one, octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)-, (3aR,4aS,5S,5aR,6aR)- |
| Carabron |
| 5a-Methyl-3-methylene-5-(3-oxobutyl)octahydro-2H-cyclopropa[f][1]benzofuran-2-one |
| 2H-Cyclopropa(f)benzofuran-2-one, octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)- |
| Carabrone |
| (3aR,4aS,5S,5aR,6aR)-5a-Methyl-3-methylene-5-(3-oxobutyl)octahydro-2H-cyclopropa[f][1]benzofuran-2-one |
| 2H-Cyclopropa[f]benzofuran-2-one, octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)- |
