(1S-(1alpha,2alpha(Z),3beta(1E,3S*),4alpha))-7-(3-(3-Hydroxy-4-(4-(Iodo-125I)Phenoxy)-1-Butenyl)-7-Oxabicyclo(2.2.1)Hept-2-Yl)-5-Heptenoic Acid
[CAS# 124924-85-2]

Identification

• Name: (1S-(1alpha,2alpha(Z),3beta(1E,3S*),4alpha))-7-(3-(3-Hydroxy-4-(4-(Iodo-125I)Phenoxy)-1-Butenyl)-7-Oxabicyclo(2.2.1)Hept-2-Yl)-5-Heptenoic Acid
• Synonyms: 7-(3-(3-Hydroxy-4-(4'-Iodophenoxy)-1-Butenyl)-7-Oxabicyclo(2.2.1)Heptan-2-Yl)-5-Heptenoic Acid
• Molecular Formula: C₂₃H₂₉IO₅
• Molecular Weight: 512.38
• CAS Registry Number: 124924-85-2
• SMILES: [C@H]2(\C=C\[C@H](COC1=CC=C([125I])C=C1)O)[C@@H]3O[C@H]([C@@H]2C\C=C/CCCC(=O)O)CC3
• InChI: 1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1/i24-2
• InChIKey: UYFMSCHBODMWON-GEUMQUDLSA-N

Properties

• Density: 1.484g/cm³ (Cal.)
• Boiling point: 634.483°C at 760 mmHg (Cal.)
• Flash point: 337.523°C (Cal.)