1a,1b-Dihomo-Thromboxane B2
[CAS# 81827-76-1]

Identification

• Name: 1a,1b-Dihomo-Thromboxane B2
• Synonyms: (E)-9-[4,6-Dihydroxy-2-[(E)-3-Hydroxyoct-1-Enyl]Tetrahydropyran-3-Yl]Non-7-Enoic Acid; (E)-9-[4,6-Dihydroxy-2-[(E)-3-Hydroxyoct-1-Enyl]-3-Tetrahydropyranyl]Non-7-Enoic Acid; 1A,1B-Dihomo-Thromboxane B2
• Molecular Formula: C₂₂H₃₈O₆
• Molecular Weight: 398.54
• CAS Registry Number: 81827-76-1
• SMILES: C(C1C(OC(O)CC1O)\C=C\C(O)CCCCC)\C=C\CCCCCC(=O)O
• InChI: 1S/C22H38O6/c1-2-3-8-11-17(23)14-15-20-18(19(24)16-22(27)28-20)12-9-6-4-5-7-10-13-21(25)26/h6,9,14-15,17-20,22-24,27H,2-5,7-8,10-13,16H2,1H3,(H,25,26)/b9-6+,15-14+
• InChIKey: PXYWKDWTLGSULH-NUFNZXCZSA-N

Properties

• Density: 1.141g/cm³ (Cal.)
• Boiling point: 601.777°C at 760 mmHg (Cal.)
• Flash point: 201.486°C (Cal.)