Introduction：Basic information about CAS 69809-22-9|Agarotetrol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Agarotetrol |
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| CAS Number | 69809-22-9 | Molecular Weight | 318.321 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 581.3±50.0 °C at 760 mmHg |
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| Molecular Formula | C17H18O6 | Melting Point | / |
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| MSDS | / | Flash Point | 216.5±23.6 °C |
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Names
| Name | agarotetrol |
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| Synonym | More Synonyms |
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Agarotetrol BiologicalActivity
| Description | Agarotetrol is a chromone derivative isolated from Agarwood. |
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| Related Catalog | Signaling Pathways >>Others >>OthersNatural Products >>OthersResearch Areas >>Others |
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| In Vitro | Agarotetrol is a chromone derivative isolated from Agarwood, shows no inhibitory activity against phosphodiesterase (PDE) 3A (IC50, >100 μM). |
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| References | [1]. Sugiyama T, et al. Three new 5,6,7,8-tetrahydroxy-5,6,7,8-tetrahydrochromone derivatives enantiomeric to agarotetrol from agarwood. J Nat Med. 2018 Jun;72(3):667-674. |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 581.3±50.0 °C at 760 mmHg |
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| Molecular Formula | C17H18O6 |
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| Molecular Weight | 318.321 |
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| Flash Point | 216.5±23.6 °C |
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| Exact Mass | 318.110352 |
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| PSA | 111.13000 |
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| LogP | 2.72 |
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| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
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| Index of Refraction | 1.676 |
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| InChIKey | CWMIROLCTHMEEO-JJXSEGSLSA-N |
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| SMILES | O=c1cc(CCc2ccccc2)oc2c1C(O)C(O)C(O)C2O |
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| Storage condition | 2-8℃ |
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Synonyms
| (5S,6R,7R,8S)-5,6,7,8-Tetrahydroxy-2-phenethyl-5,6,7,8-tetrahydro-chromen-4-one |
| (5S,6R,7R,8S)-5,6,7,8-Tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one |
| Agarotetrol |
| 4H-1-Benzopyran-4-one, 5,6,7,8-tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-, (5S,6R,7R,8S)- |
