O-Mannopyranosyl-(1-3)-O-mannopyranosyl-(1-4)-O-glucopyranosyl-(1-1)-2-N-tetracosanoylsphingenine
[CAS# 128443-10-7]

Identification

• Name: O-Mannopyranosyl-(1-3)-O-mannopyranosyl-(1-4)-O-glucopyranosyl-(1-1)-2-N-tetracosanoylsphingenine
• Synonyms: N-[(E,1S,2R)-2-Hydroxy-1-[[(2R,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxymethyl]Heptadec-3-Enyl]Tetracosanamide; N-[(E,1S,2R)-2-Hydroxy-1-[[(2R,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxymethyl]Heptadec-3-Enyl]Tetracosanamide; N-[(E,1S,2R)-2-Hydroxy-1-[[(2R,3R,4S,5R,6R)-5-Hydroxy-6-Methylol-3,4-Bis[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxymethyl]Heptadec-3-Enyl]Lignoceramide
• Molecular Formula: C₆₀H₁₁₃NO₁₈
• Molecular Weight: 1136.55
• CAS Registry Number: 128443-10-7
• SMILES: [C@@H]3(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)[C@H](O)[C@H](O[C@H]3OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)CO
• InChI: 1S/C60H113NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(66)61-43(44(65)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-74-60-57(79-59-55(73)53(71)50(68)46(40-63)76-59)56(51(69)47(41-64)77-60)78-58-54(72)52(70)49(67)45(39-62)75-58/h35,37,43-47,49-60,62-65,67-73H,3-34,36,38-42H2,1-2H3,(H,61,66)/b37-35+/t43-,44+,45+,46+,47+,49+,50+,51+,52-,53-,54-,55-,56-,57+,58+,59-,60+/m0/s1
• InChIKey: MELLMPHBVJVVQV-LCTYFHFESA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 1159.045°C at 760 mmHg (Cal.)
• Flash point: 654.767°C (Cal.)