N-[(E,2S,3R)-3-oxidanyl-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-octadec-4-en-2-yl]tetracosanamide

Systemtic Name: N-[(E,2S,3R)-3-oxidanyl-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-octadec-4-en-2-yl]tetracosanamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]tetracosanamide CAS Name: N-[(E,2S,3R)-3-hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]octadec-4-en-2-yl]tetracosanamide IUPAC Name: N-[(E,2S,3R)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]tetracosanamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]lignoceramide Formula: C76H117NO8 MolecularWeight: 1172.74408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)[C@@H](/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C76H117NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-48-58-72(79)77-69(70(78)57-47-33-31-29-27-25-16-14-12-10-8-6-4-2)63-84-76-75(83-62-68-55-45-38-46-56-68)74(82-61-67-53-43-37-44-54-67)73(81-60-66-51-41-36-42-52-66)71(85-76)64-80-59-65-49-39-35-40-50-65/h35-47,49-57,69-71,73-76,78H,3-34,48,58-64H2,1-2H3,(H,77,79)/b57-47+/t69-,70+,71+,73-,74-,75+,76-/m0/s1