[7-Oxo-6-[[(E)-3,4,5-Trihydroxy-2-Methoxy-8-Methylnon-6-Enoyl]Amino]Azepan-3-Yl] Tetradecanoate
[CAS# 104947-68-4]

Identification

• Name: [7-Oxo-6-[[(E)-3,4,5-Trihydroxy-2-Methoxy-8-Methylnon-6-Enoyl]Amino]Azepan-3-Yl] Tetradecanoate
• Synonyms: [7-Oxo-6-[(3,4,5-Trihydroxy-2-Methoxy-8-Methylnon-6-Enoyl)Amino]Azepan-3-Yl] Tetradecanoate; [7-Oxo-6-[[(E)-3,4,5-Trihydroxy-2-Methoxy-8-Methyl-Non-6-Enoyl]Amino]Azepan-3-Yl] Tetradecanoate; [7-Oxo-6-[(3,4,5-Trihydroxy-2-Methoxy-8-Methyl-Non-6-Enoyl)Amino]Azepan-3-Yl] Tetradecanoate
• Molecular Formula: C₃₁H₅₆N₂O₈
• Molecular Weight: 584.79
• CAS Registry Number: 104947-68-4
• SMILES: C(C(OC1CCC(C(NC1)=O)NC(C(C(C(C(/C=C/C(C)C)O)O)O)OC)=O)=O)CCCCCCCCCCCC
• InChI: 1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(35)41-23-18-19-24(30(38)32-21-23)33-31(39)29(40-4)28(37)27(36)25(34)20-17-22(2)3/h17,20,22-25,27-29,34,36-37H,5-16,18-19,21H2,1-4H3,(H,32,38)(H,33,39)/b20-17+
• InChIKey: NKASPYGDXVCCTA-LVZFUZTISA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 788.336°C at 760 mmHg (Cal.)
• Flash point: 430.57°C (Cal.)