Identifiers & Physical Properties
| CAS No. | 3862-25-7 |
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| Molecular formula | C27H44O2 |
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| Average molar mass | 400.647 g/mol |
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| Monoisotopic mass | 400.33413065 g/mol |
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| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
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| InChIKey | IOIZWEJGGCZDOL-RQDYSCIWSA-N |
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| PubChem CID | 123743 |
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| ChEMBL | CHEMBL4285345 |
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| ChEBI | CHEBI:17899 |
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| DTXSID | DTXSID10191938 |
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Chemical & Physical Properties
| Melting point | 181-182 °C |
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| Boiling point | 516.7±29.0 °C(Predicted) |
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| Density | 1.03±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 14.49±0.70(Predicted) |
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