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

Systemtic Name: N-[(Z,2S,3R,4S)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)octadec-8-en-2-yl]hexadecanamide Openeye Name: N-[(Z,1S,2R,3S)-2,3-dihydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-7-enyl]hexadecanamide CAS Name: N-[(Z,2S,3R,4S)-3,4-dihydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-8-en-2-yl]hexadecanamide IUPAC Name: N-[(Z,2S,3R,4S)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]hexadecanamide Traditional Name: N-[(Z,1S,2R,3S)-2,3-dihydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]heptadec-7-enyl]palmitamide Formula: C40H77NO9 MolecularWeight: 716.04068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]([C@H](CCC/C=C\CCCCCCCCC)O)O

InChI

InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(44)41-32(31-49-40-39(48)38(47)37(46)34(30-42)50-40)36(45)33(43)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,32-34,36-40,42-43,45-48H,3-19,21,23-31H2,1-2H3,(H,41,44)/b22-20-/t32-,33-,34+,36+,37+,38-,39+,40+/m0/s1