7-[(2R,3S,4S)-Tetrahydro-4-Hydroxy-2-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-6-Oxo-2H-Pyran-3-Yl]-(5Z)-5-Heptenoic Acid
[CAS# 67910-12-7]

Identification

• Name: 7-[(2R,3S,4S)-Tetrahydro-4-Hydroxy-2-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-6-Oxo-2H-Pyran-3-Yl]-(5Z)-5-Heptenoic Acid
• Synonyms: (Z)-7-[(2R,3S,4S)-4-Hydroxy-2-[(E,3R)-3-Hydroxyoct-1-Enyl]-6-Oxo-Tetrahydropyran-3-Yl]Hept-5-Enoic Acid; (Z)-7-[(2R,3S,4S)-4-Hydroxy-2-[(E,3R)-3-Hydroxyoct-1-Enyl]-6-Oxo-3-Tetrahydropyranyl]Hept-5-Enoic Acid; (Z)-7-[(2R,3S,4S)-4-Hydroxy-2-[(E,3R)-3-Hydroxyoct-1-Enyl]-6-Keto-Tetrahydropyran-3-Yl]Hept-5-Enoic Acid
• Molecular Formula: C₂₀H₃₂O₆
• Molecular Weight: 368.47
• CAS Registry Number: 67910-12-7
• SMILES: [C@H]1([C@H](OC(=O)C[C@@H]1O)\C=C\[C@H](O)CCCCC)C\C=C/CCCC(=O)O
• InChI: 1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16+,17+,18-/m1/s1
• InChIKey: KJYIVXDPWBUJBQ-SLQLHLDPSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 588.461°C at 760 mmHg (Cal.)
• Flash point: 202.927°C (Cal.)