2-Hydroxy-2-[[5-Hydroxy-1-Methyl-4-[(2E,4E)-Octa-2,4-Dienoyl]-3-Oxo-2H-Pyrrol-2-Yl]Methyl]-3-Methylbutanoic Acid
[CAS# 157148-06-6]

Identification

• Name: 2-Hydroxy-2-[[5-Hydroxy-1-Methyl-4-[(2E,4E)-Octa-2,4-Dienoyl]-3-Oxo-2H-Pyrrol-2-Yl]Methyl]-3-Methylbutanoic Acid
• Synonyms: 2-Hydroxy-2-[[5-Hydroxy-1-Methyl-4-[(2E,4E)-Octa-2,4-Dienoyl]-3-Oxo-2H-Pyrrol-2-Yl]Methyl]-3-Methyl-Butanoic Acid; 2-Hydroxy-2-[[5-Hydroxy-1-Methyl-3-Oxo-4-[(2E,4E)-1-Oxoocta-2,4-Dienyl]-2H-Pyrrol-2-Yl]Methyl]-3-Methylbutanoic Acid; 2-Hydroxy-2-[[5-Hydroxy-3-Keto-1-Methyl-4-[(2E,4E)-Octa-2,4-Dienoyl]-2-Pyrrolin-2-Yl]Methyl]-3-Methyl-Butyric Acid
• Molecular Formula: C₁₉H₂₇NO₆
• Molecular Weight: 365.43
• CAS Registry Number: 157148-06-6
• SMILES: C(C(O)(C(C)C)C(O)=O)C1N(C(=C(C1=O)C(=O)\C=C\C=C\CCC)O)C
• InChI: 1S/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,23,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+
• InChIKey: HRDRAOYZFZZWSU-XBLVEGMJSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 539.821°C at 760 mmHg (Cal.)
• Flash point: 280.274°C (Cal.)