(5E)-7-{3-[(1E)-3-Hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1]hept-2-yl}-5-heptenoic acid
[CAS# 71111-01-8]

Identification

• Name: (5E)-7-{3-[(1E)-3-Hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1]hept-2-yl}-5-heptenoic acid
• Synonyms: PTA2 (PINANE THROMBOXANE A2)
• Molecular Formula: C₂₄H₄₀O₃
• Molecular Weight: 376.57
• CAS Registry Number: 71111-01-8
• SMILES: O=C(O)CCC/C=C/CC1C(/C=C/C(O)CCCCC)CC2CC1C2(C)C
• InChI: 1S/C24H40O3/c1-4-5-8-11-20(25)15-14-18-16-19-17-22(24(19,2)3)21(18)12-9-6-7-10-13-23(26)27/h6,9,14-15,18-22,25H,4-5,7-8,10-13,16-17H2,1-3H3,(H,26,27)/b9-6+,15-14+
• InChIKey: OHJIHGVLRDHSDV-NUFNZXCZSA-N

Properties

• Density: 1.023g/cm³ (Cal.)
• Boiling point: 508.612°C at 760 mmHg (Cal.)
• Flash point: 275.488°C (Cal.)