(E)-N-[(E,3R)-3-Hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoctadec-4-En-2-Yl]-10-Pyren-1-Yldec-9-Enamide
[CAS# 137593-41-0]

Identification

• Name: (E)-N-[(E,3R)-3-Hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoctadec-4-En-2-Yl]-10-Pyren-1-Yldec-9-Enamide
• Synonyms: (E)-N-[(E,2R)-2-Hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Heptadec-3-Enyl]-10-Pyren-1-Yl-Dec-9-Enamide; (E)-N-[(E,2R)-2-Hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]Heptadec-3-Enyl]-10-(1-Pyrenyl)Dec-9-Enamide; (E)-N-[(E,2R)-2-Hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Heptadec-3-Enyl]-10-Pyren-1-Yl-Dec-9-Enamide
• Molecular Formula: C₅₀H₇₁NO₈
• Molecular Weight: 814.11
• CAS Registry Number: 137593-41-0
• SMILES: [C@@H]1(O)[C@@H](O)[C@@H](O)[C@H](O[C@@H]1OCC(NC(=O)CCCCCCC/C=C/C4=C5C3=C2C(=CC=CC2=CC=C3C=C4)C=C5)[C@H](O)\C=C\CCCCCCCCCCCCC)CO
• InChI: 1S/C50H71NO8/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/h19-20,22-26,28-33,41-43,47-50,52-53,55-57H,2-18,21,27,34-35H2,1H3,(H,51,54)/b23-19+,26-20+/t41?,42-,43-,47+,48+,49-,50+/m1/s1
• InChIKey: MJGFYEMZFWUTOG-FZEZEXDMSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 986.328°C at 760 mmHg (Cal.)
• Flash point: 550.311°C (Cal.)