18-Carboxy-19,20-Dinor-N-Acetylleukotriene E4
[CAS# 114115-51-4]

Identification

• Name: 18-Carboxy-19,20-Dinor-N-Acetylleukotriene E4
• Synonyms: (4Z,7Z,9E,11E,13R,14S)-13-(2-Acetamido-3-Hydroxy-3-Oxo-Propyl)Sulfanyl-14-Hydroxy-Octadeca-4,7,9,11-Tetraenedioic Acid; (4Z,7Z,9E,11E,13R,14S)-13-[(2-Acetamido-3-Hydroxy-3-Oxopropyl)Thio]-14-Hydroxyoctadeca-4,7,9,11-Tetraenedioic Acid; (4Z,7Z,9E,11E,13R,14S)-13-[(2-Acetamido-3-Hydroxy-3-Keto-Propyl)Thio]-14-Hydroxy-Octadeca-4,7,9,11-Tetraenedioic Acid
• Molecular Formula: C₂₃H₃₃NO₈S
• Molecular Weight: 483.58
• CAS Registry Number: 114115-51-4
• SMILES: [C@H](SCC(NC(=O)C)C(=O)O)([C@@H](O)CCCC(=O)O)\C=C\C=C\C=C/C/C=C\CCC(=O)O
• InChI: 1S/C23H33NO8S/c1-17(25)24-18(23(31)32)16-33-20(19(26)12-11-15-22(29)30)13-9-7-5-3-2-4-6-8-10-14-21(27)28/h2-3,5-9,13,18-20,26H,4,10-12,14-16H2,1H3,(H,24,25)(H,27,28)(H,29,30)(H,31,32)/b3-2-,7-5+,8-6-,13-9+/t18?,19-,20+/m0/s1
• InChIKey: QGAYARJCHQVTKP-IKKMYBAHSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 834.412°C at 760 mmHg (Cal.)
• Flash point: 458.436°C (Cal.)