[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-prop-2-enoxy-oxan-4-yl] octadecanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-prop-2-enoxy-oxan-4-yl] octadecanoate Openeye Name: [(2S,3R,4R,5S,6R)-3-acetamido-2-allyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] octadecanoate CAS Name: octadecanoic acid [(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-4-yl] octadecanoate Traditional Name: stearic acid [(2S,3R,4R,5S,6R)-3-acetamido-2-allyloxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C29H53NO7 MolecularWeight: 527.73362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)CO)OCC=C)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OCC=C)NC(=O)C

InChI

InChI=1S/C29H53NO7/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(33)37-28-26(30-23(3)32)29(35-21-5-2)36-24(22-31)27(28)34/h5,24,26-29,31,34H,2,4,6-22H2,1,3H3,(H,30,32)/t24-,26-,27-,28-,29+/m1/s1