5-[(2R,3S,4S,6R)-Tetrahydro-4,6-Dihydroxy-2-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-2H-Pyran-3-Yl]-(3Z)-3-Pentenoic Acid
[CAS# 63250-09-9]

Identification

• Name: 5-[(2R,3S,4S,6R)-Tetrahydro-4,6-Dihydroxy-2-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-2H-Pyran-3-Yl]-(3Z)-3-Pentenoic Acid
• Synonyms: (Z)-5-[(2R,4S,6R)-4,6-Dihydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]Tetrahydropyran-3-Yl]Pent-3-Enoic Acid; (Z)-5-[(2R,4S,6R)-4,6-Dihydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-3-Tetrahydropyranyl]Pent-3-Enoic Acid; 2,3-Dinor Txb2
• Molecular Formula: C₁₈H₃₀O₆
• Molecular Weight: 342.43
• CAS Registry Number: 63250-09-9
• SMILES: [C@@H]1(O[C@@H](O)C[C@H](O)C1C\C=C/CC(=O)O)\C=C\[C@@H](O)CCCCC
• InChI: 1S/C18H30O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h5-6,10-11,13-16,18-20,23H,2-4,7-9,12H2,1H3,(H,21,22)/b6-5-,11-10+/t13-,14?,15-,16+,18+/m0/s1
• InChIKey: RJHNVFKNIJQTQF-DXSUFTPMSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 566.943°C at 760 mmHg (Cal.)
• Flash point: 199.512°C (Cal.)