(E,4R)-4-[(2S,3R,4R)-3,4-Dihydroxy-5-[(E,5S)-5-Hydroxy-4-Methylhex-2-Enyl]Oxan-2-Yl]-4-Hydroxy-3-Methylbut-2-Enoic Acid
[CAS# 153715-18-5]

Identification

• Name: (E,4R)-4-[(2S,3R,4R)-3,4-Dihydroxy-5-[(E,5S)-5-Hydroxy-4-Methylhex-2-Enyl]Oxan-2-Yl]-4-Hydroxy-3-Methylbut-2-Enoic Acid
• Synonyms: (E,4R)-4-[(2S,3R,4R)-3,4-Dihydroxy-5-[(E,5S)-5-Hydroxy-4-Methyl-Hex-2-Enyl]Tetrahydropyran-2-Yl]-4-Hydroxy-3-Methyl-But-2-Enoic Acid; (E,4R)-4-[(2S,3R,4R)-3,4-Dihydroxy-5-[(E,5S)-5-Hydroxy-4-Methylhex-2-Enyl]-2-Tetrahydropyranyl]-4-Hydroxy-3-Methylbut-2-Enoic Acid; (E,4R)-4-[(2S,3R,4R)-3,4-Dihydroxy-5-[(E,5S)-5-Hydroxy-4-Methyl-Hex-2-Enyl]Oxan-2-Yl]-4-Hydroxy-3-Methyl-But-2-Enoic Acid
• Molecular Formula: C₁₇H₂₈O₇
• Molecular Weight: 344.40
• CAS Registry Number: 153715-18-5
• SMILES: [C@H]1(OCC([C@@H](O)[C@H]1O)C\C=C\C([C@@H](O)C)C)[C@H](O)\C(=C\C(=O)O)C
• InChI: 1S/C17H28O7/c1-9(11(3)18)5-4-6-12-8-24-17(16(23)15(12)22)14(21)10(2)7-13(19)20/h4-5,7,9,11-12,14-18,21-23H,6,8H2,1-3H3,(H,19,20)/b5-4+,10-7+/t9?,11-,12?,14+,15+,16+,17-/m0/s1
• InChIKey: QJONCKCRAFYVBD-VRPGCYOISA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 603.328°C at 760 mmHg (Cal.)
• Flash point: 215.764°C (Cal.)