7-[3-(3-Hydroxyoct-1-Enyl)-4,6-Dioxabicyclo[3.1.1]Hept-2-Yl]Hept-5-Enoic Acid
[CAS# 57576-52-0]

Identification

• Name: 7-[3-(3-Hydroxyoct-1-Enyl)-4,6-Dioxabicyclo[3.1.1]Hept-2-Yl]Hept-5-Enoic Acid
• Synonyms: (5Z,13E,15S)-9Alpha,11Alpha-Epoxy-15-Hydroxythromboxa-5,13-Dien-1-Oic Acid; 9S,11S-Epoxy,15S-Hydroxy-Thromboxa-5Z,13E-Dien-1-Oic Acid; Chebi:15627
• Molecular Formula: C₂₀H₃₂O₅
• Molecular Weight: 352.47
• CAS Registry Number: 57576-52-0
• SMILES: [C@@H]12O[C@@H](O[C@@H]([C@H]1C\C=C/CCCC(=O)O)\C=C\[C@@H](O)CCCCC)C2
• InChI: 1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1
• InChIKey: DSNBHJFQCNUKMA-SCKDECHMSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 516.1±40.0°C at 760 mmHg (Cal.)
• Flash point: 176.3±20.8°C (Cal.)