Westiellamide
[CAS# 131998-54-4]

Identification

• Name: Westiellamide
• Synonyms: Trisoxazoline; 6,13,20-Trioxa-3,10,17,22,23,24-Hexaazatetracyclo(17.2.1.1(5,8).1(12,15))Tetracosa-5(24),12(23),19(22)-Triene-2,9,16-Trione, 7,14,21-Trimethyl-4,11,18-Tris(1-Methylethyl)-, (1S-(1R*,4R*,7S*,8R*,11R*,14S*,15R*,18R*,21S*))-; C15739
• Molecular Formula: C₂₇H₄₂N₆O₆
• Molecular Weight: 546.67
• CAS Registry Number: 131998-54-4
• SMILES: [C@H]12N=C(O[C@@H]1C)[C@@H](NC([C@H]4N=C([C@H](C(C)C)NC([C@H]3N=C([C@@H](NC2=O)C(C)C)O[C@@H]3C)=O)O[C@@H]4C)=O)C(C)C
• InChI: 1S/C27H42N6O6/c1-10(2)16-25-31-20(13(7)37-25)23(35)29-18(12(5)6)27-33-21(15(9)39-27)24(36)30-17(11(3)4)26-32-19(14(8)38-26)22(34)28-16/h10-21H,1-9H3,(H,28,34)(H,29,35)(H,30,36)/t13-,14-,15-,16+,17+,18+,19+,20+,21+/m1/s1
• InChIKey: MIDTUAMKJJDHAR-YAWPOEEYSA-N

Properties

• Density: 1.423g/cm³ (Cal.)
• Boiling point: 782.334°C at 760 mmHg (Cal.)
• Flash point: 426.94°C (Cal.)