(Z)-7-[(1R,2S,3R,5R)-3-[(E,3S)-3-Hydroperoxyoct-1-Enyl]-4,7-Dioxabicyclo[3.1.1]Heptan-2-Yl]Hept-5-Enoic Acid
[CAS# 73151-69-6]

Identification

• Name: (Z)-7-[(1R,2S,3R,5R)-3-[(E,3S)-3-Hydroperoxyoct-1-Enyl]-4,7-Dioxabicyclo[3.1.1]Heptan-2-Yl]Hept-5-Enoic Acid
• Synonyms: 15-Hydroperoxythromboxane A2; Thromboxa-5,13-Dien-1-Oic Acid, 9,11-Epoxy-15-Hydroperoxy-, (5Z,9Alpha,11Alpha,13E,15S)-
• Molecular Formula: C₂₀H₃₂O₆
• Molecular Weight: 368.47
• CAS Registry Number: 73151-69-6
• SMILES: [C@H]12O[C@H](O[C@@H]([C@H]1C\C=C/CCCC(=O)O)\C=C\[C@@H](OO)CCCCC)C2
• InChI: 1S/C20H32O6/c1-2-3-6-9-15(26-23)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(21)22/h4,7,12-13,15-18,20,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18+,20-/m0/s1
• InChIKey: HOKLGACTDPUACN-YDQDXGRRSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 543.797°C at 760 mmHg (Cal.)
• Flash point: 186.413°C (Cal.)