Palinurin
[CAS# 71947-64-3]

Identification

• Name: Palinurin
• Synonyms: (2R)-2-[(2E,6S,7E,9E)-13-(3-Furyl)-2,6,10-Trimethyl-Trideca-2,7,9-Trienyl]-5-Hydroxy-4-Methyl-Furan-3-One; (2R)-2-[(2E,6S,7E,9E)-13-(3-Furyl)-2,6,10-Trimethyltrideca-2,7,9-Trienyl]-5-Hydroxy-4-Methyl-3-Furanone; (2R)-2-[(2E,6S,7E,9E)-13-Furan-3-Yl-2,6,10-Trimethyl-Trideca-2,7,9-Trienyl]-5-Hydroxy-4-Methyl-Furan-3-One
• Molecular Formula: C₂₅H₃₄O₄
• Molecular Weight: 398.54
• CAS Registry Number: 71947-64-3
• SMILES: [C@@H](CC/C=C(/C[C@H]1OC(=C(C1=O)C)O)C)(C)\C=C\C=C(\CCCC2=COC=C2)C
• InChI: 1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,23,27H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18-,23-/m1/s1
• InChIKey: RYXHEQCNPKSTOF-KCWPHIDLSA-N

Properties

• Density: 1.061g/cm³ (Cal.)
• Boiling point: 522.778°C at 760 mmHg (Cal.)
• Flash point: 269.966°C (Cal.)