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

Systemtic Name: [(2R,3S,4R,5R,6S)-5-acetamido-3-oxidanyl-2-(propanoyloxymethyl)-6-prop-2-enoxy-oxan-4-yl] octadecanoate Openeye Name: [(2S,3R,4R,5S,6R)-3-acetamido-2-allyloxy-5-hydroxy-6-(propanoyloxymethyl)tetrahydropyran-4-yl] octadecanoate CAS Name: octadecanoic acid [(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(1-oxopropoxymethyl)-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(propanoyloxymethyl)-6-prop-2-enoxyoxan-4-yl] octadecanoate Traditional Name: stearic acid [(2S,3R,4R,5S,6R)-3-acetamido-2-allyloxy-5-hydroxy-6-(propionyloxymethyl)tetrahydropyran-4-yl] ester Formula: C32H57NO8 MolecularWeight: 583.79688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)COC(=O)CC)OCC=C)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C32H57NO8/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(36)41-31-29(33-25(4)34)32(38-23-6-2)40-26(30(31)37)24-39-27(35)7-3/h6,26,29-32,37H,2,5,7-24H2,1,3-4H3,(H,33,34)/t26-,29-,30-,31-,32+/m1/s1