(2E,4E,6Z,8E,10E,12R,13R,14E,16S)-13-Hydroxy-N-[(2S)-1-hydroxy-2-propanyl]-2,10,12,14,16-pentamethyl-2,4,6,8,10,14-octadecahexaenamide
[CAS# 86934-09-0]

Identification

• Name: (2E,4E,6Z,8E,10E,12R,13R,14E,16S)-13-Hydroxy-N-[(2S)-1-hydroxy-2-propanyl]-2,10,12,14,16-pentamethyl-2,4,6,8,10,14-octadecahexaenamide
• Synonyms: (–)-myxalamide A; 2,4,6,8,10,14-Octadecahexaenamide, 13-hydroxy-N-(2-hydroxy-1-methylethyl)-2,10,12,14,16-pentamethyl-, (12R-(N(S*),2E,4E,6Z,8E,10E,12R*,13R*,14E,16S*))-
• Molecular Formula: C₂₆H₄₁NO₃
• Molecular Weight: 415.61
• CAS Registry Number: 86934-09-0
• SMILES: O=C(/C(=C/C=C/C=C\C=C\C(=C\[C@@H](C)[C@@H](O)C(=C/[C@@H](C)CC)/C)C)C)N[C@@H](C)CO
• InChI: 1S/C26H41NO3/c1-8-19(2)16-22(5)25(29)23(6)17-20(3)14-12-10-9-11-13-15-21(4)26(30)27-24(7)18-28/h9-17,19,23-25,28-29H,8,18H2,1-7H3,(H,27,30)/b10-9-,13-11+,14-12+,20-17+,21-15+,22-16+/t19-,23+,24-,25-/m0/s1
• InChIKey: GDEZZTBHSFKRJN-CCICZWJZSA-N

Properties

• Density: 0.987g/cm³ (Cal.)
• Boiling point: 624.283°C at 760 mmHg (Cal.)
• Flash point: 331.355°C (Cal.)

References

• (1): Fujita Kazuhiro, Matsui Ryosuke, Suzuki Takahiro, Kobayashi Susumu. Concise Total Synthesis of (−)-Myxalamide A, Angewandte Chemie International Edition, 2012