(3Z)-5-{(2R,3S,4S)-4-Hydroxy-2-[(1E,3R)-3-hydroxy-1-octen-1-yl]-6-oxotetrahydro-2H-pyran-3-yl}-3-pentenoic acid
[CAS# 79250-60-5]

Identification

• Name: (3Z)-5-{(2R,3S,4S)-4-Hydroxy-2-[(1E,3R)-3-hydroxy-1-octen-1-yl]-6-oxotetrahydro-2H-pyran-3-yl}-3-pentenoic acid
• Synonyms: "11-dehydro-2,3-dinor Thromboxane B2"; " 9α,15S-dihydroxy-11-oxo-2,3-dinor-thromba-5Z,13E-dien-1-oic acid" ; 11-dehydro-2,3-dinor Thromboxane B2
• Molecular Formula: C₁₈H₂₈O₆
• Molecular Weight: 340.41
• CAS Registry Number: 79250-60-5
• SMILES: CCCCC[C@H](/C=C/[C@@H]1[C@H]([C@H](CC(=O)O1)O)C/C=C\CC(=O)O)O
• InChI: 1S/C18H28O6/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/h5-6,10-11,13-16,19-20H,2-4,7-9,12H2,1H3,(H,21,22)/b6-5-,11-10+/t13-,14+,15+,16-/m1/s1
• InChIKey: PJAAKFHMQLYVGV-HXSCFROSSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 573.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 203.2±23.6°C (Cal.)