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| Chemical manufacturer | ||||
| Name | Isopilosine |
|---|---|
| Synonyms | (3S,4R)-3-[(R)-Hydroxy-Phenyl-Methyl]-4-[(3-Methylimidazol-4-Yl)Methyl]Tetrahydrofuran-2-One; (3S,4R)-3-[(R)-Hydroxy-Phenylmethyl]-4-[(3-Methyl-4-Imidazolyl)Methyl]-2-Tetrahydrofuranone; (3S,4R)-3-[(R)-Hydroxy-Phenyl-Methyl]-4-[(3-Methylimidazol-4-Yl)Methyl]Oxolan-2-One |
| Molecular Structure |  |
| Molecular Formula | C16H18N2O3 |
| Molecular Weight | 286.33 |
| CAS Registry Number | 491-88-3 |
| EINECS | 207-745-2 |
| SMILES | [C@H]2([C@@H](CC1=CN=C[N]1C)COC2=O)[C@H](C3=CC=CC=C3)O |
| InChI | 1S/C16H18N2O3/c1-18-10-17-8-13(18)7-12-9-21-16(20)14(12)15(19)11-5-3-2-4-6-11/h2-6,8,10,12,14-15,19H,7,9H2,1H3/t12-,14-,15-/m0/s1 |
| InChIKey | DZOVBAVEJYPSLL-QEJZJMRPSA-N |
| Density | 1.3±0.1g/cm3 (Cal.) |
|---|---|
| Boiling point | 568.3±25.0°C at 760 mmHg (Cal.) |
| Flash point | 297.5±23.2°C (Cal.) |
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