Isopilosine
[CAS# 491-88-3]

Identification

• 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 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

Properties

• 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.)