Beauverolides
[CAS# 62995-90-8]

Identification

• Name: Beauverolides
• Synonyms: 13-Hexyl-3-Isobutyl-6-Methyl-9-(Phenylmethyl)-1-Oxa-4,7,10-Triazacyclotridecane-2,5,8,11-Tetrone; 9-(Benzyl)-13-Hexyl-3-Isobutyl-6-Methyl-1-Oxa-4,7,10-Triazacyclotridecane-2,5,8,11-Diquinone; Beauverolide H
• Molecular Formula: C₂₇H₄₁N₃O₅
• Molecular Weight: 487.64
• CAS Registry Number: 62995-90-8
• SMILES: C1=CC=CC=C1CC2NC(CC(OC(C(NC(C(NC2=O)C)=O)CC(C)C)=O)CCCCCC)=O
• InChI: 1S/C27H41N3O5/c1-5-6-7-11-14-21-17-24(31)29-22(16-20-12-9-8-10-13-20)26(33)28-19(4)25(32)30-23(15-18(2)3)27(34)35-21/h8-10,12-13,18-19,21-23H,5-7,11,14-17H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)
• InChIKey: YUJXCNCSPRKCFX-UHFFFAOYSA-N

Properties

• Density: 1.041g/cm³ (Cal.)
• Boiling point: 782.905°C at 760 mmHg (Cal.)
• Flash point: 427.286°C (Cal.)