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

Systemtic Name: N-[(E,2S,3R)-3-oxidanyl-1-[(2R,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-octadec-4-en-2-yl]octadecanamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]octadecanamide CAS Name: N-[(E,2S,3R)-3-hydroxy-1-[[(2R,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]octadec-4-en-2-yl]octadecanamide IUPAC Name: N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]octadecanamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]stearamide Formula: C41H79NO7 MolecularWeight: 698.06846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(CO1)O)O)O)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C41H79NO7/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(45)42-35(33-48-41-40(47)39(46)37(44)34-49-41)36(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,35-37,39-41,43-44,46-47H,3-28,30,32-34H2,1-2H3,(H,42,45)/b31-29+/t35-,36+,37+,39-,40+,41+/m0/s1