Introduction：Basic information about CAS 68799-38-2|4-Oxobedfordiaic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Oxobedfordiaic acid |
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| CAS Number | 68799-38-2 | Molecular Weight | 250.33 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 411.4±38.0 °C at 760 mmHg |
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| Molecular Formula | C15H22O3 | Melting Point | / |
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| MSDS | / | Flash Point | 216.8±23.3 °C |
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Names
| Name | 2-[(1R,5S)-5-Methyl-4-(3-oxobutyl)-3-cyclohepten-1-yl]acrylic aci d |
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| Synonym | More Synonyms |
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4-Oxobedfordiaic acid BiologicalActivity
| Description | 4-Oxobedfordiaic acid is an orally active natural product, that can be isolated from Xanthium cavanillesi. 4-Oxobedfordiaic acid shows anti-ulcerogenic activity[1]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology |
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| References | [1]. Favier LS, et al. Anti-ulcerogenic activity of xanthanolide sesquiterpenes from Xanthium cavanillesii in rats. J Ethnopharmacol. 2005 Sep 14;100(3):260-7. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 411.4±38.0 °C at 760 mmHg |
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| Molecular Formula | C15H22O3 |
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| Molecular Weight | 250.33 |
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| Flash Point | 216.8±23.3 °C |
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| Exact Mass | 250.156891 |
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| PSA | 54.37000 |
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| LogP | 3.41 |
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| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
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| Index of Refraction | 1.488 |
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| InChIKey | NIQIMYXBAQAIAT-IINYFYTJSA-N |
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| SMILES | C=C(C(=O)O)C1CC=C(CCC(C)=O)C(C)CC1 |
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Safety Information
Synonyms
| 2-[(1R,5S)-5-Methyl-4-(3-oxobutyl)-3-cyclohepten-1-yl]acrylic acid |
| 3-Cycloheptene-1-acetic acid, 5-methyl-α-methylene-4-(3-oxobutyl)-, (1R,5S)- |
