N-[(E)-1-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-8-en-2-yl]hexacosanamide

Systemtic Name: N-[(E)-1-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-8-en-2-yl]hexacosanamide Openeye Name: N-[(E)-2-hydroxy-1-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-7-enyl]hexacosanamide CAS Name: N-[(E)-3-hydroxy-1-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-8-en-2-yl]hexacosanamide IUPAC Name: N-[(E)-3-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]hexacosanamide Traditional Name: N-[(E)-2-hydroxy-1-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]heptadec-7-enyl]cerotamide Formula: C50H97NO8 MolecularWeight: 840.30708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(CCCCC=CCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(CCCC/C=C/CCCCCCCCC)O

InChI

InChI=1S/C50H97NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h29,31,43-45,47-50,52-53,55-57H,3-28,30,32-42H2,1-2H3,(H,51,54)/b31-29+/t43?,44?,45-,47-,48+,49-,50?/m1/s1