N-[(E,2S,3R)-3-Hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoctadec-4-En-2-Yl]-10-Pyren-1-Yldecanamide
[CAS# 110668-37-6]

Identification

• Name: N-[(E,2S,3R)-3-Hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoctadec-4-En-2-Yl]-10-Pyren-1-Yldecanamide
• Synonyms: N-[(E,1S,2R)-2-Hydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Heptadec-3-Enyl]-10-Pyren-1-Yl-Decanamide; N-[(E,1S,2R)-2-Hydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]Heptadec-3-Enyl]-10-(1-Pyrenyl)Decanamide; N-[(E,1S,2R)-2-Hydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Heptadec-3-Enyl]-10-Pyren-1-Yl-Capramide
• Molecular Formula: C₅₀H₇₃NO₈
• Molecular Weight: 816.13
• CAS Registry Number: 110668-37-6
• SMILES: [C@@H]1(O)[C@@H](O)[C@H](O)[C@H](O[C@H]1OC[C@H](NC(=O)CCCCCCCCCC4=C5C3=C2C(=CC=CC2=CC=C3C=C4)C=C5)[C@H](O)\C=C\CCCCCCCCCCCCC)CO
• InChI: 1S/C50H73NO8/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-26-42(53)41(35-58-50-49(57)48(56)47(55)43(34-52)59-50)51-44(54)27-21-18-15-12-13-16-19-23-36-28-29-39-31-30-37-24-22-25-38-32-33-40(36)46(39)45(37)38/h20,22,24-26,28-33,41-43,47-50,52-53,55-57H,2-19,21,23,27,34-35H2,1H3,(H,51,54)/b26-20+/t41-,42+,43+,47+,48-,49+,50+/m0/s1
• InChIKey: VPLAPDLWNKTQOP-NFXMJHJRSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 977.575°C at 760 mmHg (Cal.)
• Flash point: 545.018°C (Cal.)