(2R,3R,5S)-3-Hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-Methyl-13,14-Dioxononadeca-1,3,5,7,9,11,15-Heptaenyl]Oxolane-2-Carboxylic Acid
[CAS# 185846-15-5]

Identification

• Name: (2R,3R,5S)-3-Hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-Methyl-13,14-Dioxononadeca-1,3,5,7,9,11,15-Heptaenyl]Oxolane-2-Carboxylic Acid
• Synonyms: (2R,3R,5S)-3-Hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-Methyl-13,14-Dioxo-Nonadeca-1,3,5,7,9,11,15-Heptaenyl]Tetrahydrofuran-2-Carboxylic Acid; (2R,3R,5S)-3-Hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-Methyl-13,14-Dioxononadeca-1,3,5,7,9,11,15-Heptaenyl]-2-Tetrahydrofurancarboxylic Acid; (2R,3R,5S)-5-[(1E,3E,5E,7E,9E,11E,15E)-13,14-Diketo-17-Methyl-Nonadeca-1,3,5,7,9,11,15-Heptaenyl]-3-Hydroxy-Tetrahydrofuran-2-Carboxylic Acid
• Molecular Formula: C₂₅H₃₀O₆
• Molecular Weight: 426.51
• CAS Registry Number: 185846-15-5
• SMILES: [C@H]1(O[C@@H](C[C@H]1O)\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)C(=O)\C=C\C(CC)C)C(=O)O
• InChI: 1S/C25H30O6/c1-3-19(2)16-17-22(27)21(26)15-13-11-9-7-5-4-6-8-10-12-14-20-18-23(28)24(31-20)25(29)30/h4-17,19-20,23-24,28H,3,18H2,1-2H3,(H,29,30)/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,17-16+/t19?,20-,23-,24-/m1/s1
• InChIKey: UWFRQOWLUPERFN-WUSQRGMKSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 652.18°C at 760 mmHg (Cal.)
• Flash point: 218.579°C (Cal.)