Introduction：Basic information about CAS 124168-04-3|6-O-Vanilloylajugol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 6-O-Vanilloylajugol |
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| CAS Number | 124168-04-3 | Molecular Weight | 498.477 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 742.4±60.0 °C at 760 mmHg |
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| Molecular Formula | C23H30O12 | Melting Point | / |
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| MSDS | / | Flash Point | 253.0±26.4 °C |
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Names
| Name | (1S,4aR,5R,7S,7aS)-1-(β-D-Glucopyranosyloxy)-7-hydroxy-7-methyl-1 ,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxy benzoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 742.4±60.0 °C at 760 mmHg |
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| Molecular Formula | C23H30O12 |
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| Molecular Weight | 498.477 |
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| Flash Point | 253.0±26.4 °C |
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| Exact Mass | 498.173737 |
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| PSA | 184.60000 |
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| LogP | -1.68 |
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| Vapour Pressure | 0.0±2.6 mmHg at 25°C |
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| Index of Refraction | 1.651 |
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| InChIKey | PJAISAAYEQAVGA-YYFWYDPZSA-N |
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| SMILES | COc1cc(C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)ccc1O |
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Synonyms
| Benzoic acid, 4-hydroxy-3-methoxy-, (1S,4aR,5R,7S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-5-yl ester |
| 6-O-triisopropylsilylglucal |
| (1S,4aR,5R,7S,7aS)-1-(β-D-Glucopyranosyloxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate |
| 6-O-vanilloyl ajugol |
| 6-Vanilloyl-ajugol |
| 6-O-vaniloylajugol |
