7-[(2R,3S,4S)-Tetrahydro-4,6-Dihydroxy-2-[(1E,3S,5Z)-3-Hydroxy-1,5-Octadien-1-Yl]-2H-Pyran-3-Yl]-(5Z)-5-Heptenoic Acid
[CAS# 71953-80-5]

Identification

• Name: 7-[(2R,3S,4S)-Tetrahydro-4,6-Dihydroxy-2-[(1E,3S,5Z)-3-Hydroxy-1,5-Octadien-1-Yl]-2H-Pyran-3-Yl]-(5Z)-5-Heptenoic Acid
• Synonyms: (E)-7-[4,6-Dihydroxy-2-[(1E,5E)-3-Hydroxyocta-1,5-Dienyl]Tetrahydropyran-3-Yl]Hept-5-Enoic Acid; (E)-7-[4,6-Dihydroxy-2-[(1E,5E)-3-Hydroxyocta-1,5-Dienyl]-3-Tetrahydropyranyl]Hept-5-Enoic Acid; Txb3
• Molecular Formula: C₂₀H₃₂O₆
• Molecular Weight: 368.47
• CAS Registry Number: 71953-80-5
• SMILES: C(C1C(OC(O)CC1O)\C=C\C(C\C=C\CC)O)\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/h3-4,6-7,12-13,15-18,20-22,25H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3+,7-4+,13-12+
• InChIKey: OYPPJMLKAYYWHH-OHVJZDGFSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 586.124°C at 760 mmHg (Cal.)
• Flash point: 202.002°C (Cal.)