N-[(E)-1-[(2R,3S,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-oxidanyl-nonadec-5-en-3-yl]octanamide

Systemtic Name: N-[(E)-1-[(2R,3S,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-oxidanyl-nonadec-5-en-3-yl]octanamide Openeye Name: N-[(E)-2-hydroxy-1-[2-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]ethyl]heptadec-3-enyl]octanamide CAS Name: N-[(E)-4-hydroxy-1-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]nonadec-5-en-3-yl]octanamide IUPAC Name: N-[(E)-4-hydroxy-1-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadec-5-en-3-yl]octanamide Traditional Name: N-[(E)-2-hydroxy-1-[2-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]ethyl]heptadec-3-enyl]caprylamide Formula: C33H63NO7 MolecularWeight: 585.85582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CCC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O

InChI

InChI=1S/C33H63NO7/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-27(36)26(34-30(37)22-20-17-8-6-4-2)23-24-28-31(38)33(40)32(39)29(25-35)41-28/h19,21,26-29,31-33,35-36,38-40H,3-18,20,22-25H2,1-2H3,(H,34,37)/b21-19+/t26?,27?,28-,29+,31-,32-,33+/m1/s1