(Z)-5-[(2R,3S,4S)-4-Hydroxy-2-[(E)-3-Hydroxyoct-1-Enyl]Oxan-3-Yl]Pent-3-Enoic Acid
[CAS# 148682-73-9]

Identification

• Name: (Z)-5-[(2R,3S,4S)-4-Hydroxy-2-[(E)-3-Hydroxyoct-1-Enyl]Oxan-3-Yl]Pent-3-Enoic Acid
• Synonyms: (Z)-5-[(2R,3S,4S)-4-Hydroxy-2-[(E)-3-Hydroxyoct-1-Enyl]Tetrahydropyran-3-Yl]Pent-3-Enoic Acid; (Z)-5-[(2R,3S,4S)-4-Hydroxy-2-[(E)-3-Hydroxyoct-1-Enyl]-3-Tetrahydropyranyl]Pent-3-Enoic Acid; 11-Dehydro-2,3-Dinor-Thromboxane B2
• Molecular Formula: C₁₈H₃₀O₅
• Molecular Weight: 326.43
• CAS Registry Number: 148682-73-9
• SMILES: [C@H]1([C@H](OCC[C@@H]1O)\C=C\C(O)CCCCC)C\C=C/CC(=O)O
• InChI: 1S/C18H30O5/c1-2-3-4-7-14(19)10-11-17-15(16(20)12-13-23-17)8-5-6-9-18(21)22/h5-6,10-11,14-17,19-20H,2-4,7-9,12-13H2,1H3,(H,21,22)/b6-5-,11-10+/t14?,15-,16-,17+/m0/s1
• InChIKey: CMBTXTLLBGRNAY-LEARKBIKSA-N

Properties

• Density: 1.141g/cm³ (Cal.)
• Boiling point: 524.475°C at 760 mmHg (Cal.)
• Flash point: 183.573°C (Cal.)