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

Systemtic Name: [(2R,3S,4R,5R,6S)-5-acetamido-2-(3-methylbutanoyloxymethyl)-3-oxidanyl-6-prop-2-enoxy-oxan-4-yl] octadecanoate Openeye Name: [(2S,3R,4R,5S,6R)-3-acetamido-2-allyloxy-5-hydroxy-6-(3-methylbutanoyloxymethyl)tetrahydropyran-4-yl] octadecanoate CAS Name: octadecanoic acid [(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-[(3-methyl-1-oxobutoxy)methyl]-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(3-methylbutanoyloxymethyl)-6-prop-2-enoxyoxan-4-yl] octadecanoate Traditional Name: stearic acid [(2S,3R,4R,5S,6R)-3-acetamido-2-allyloxy-5-hydroxy-6-(isovaleryloxymethyl)tetrahydropyran-4-yl] ester Formula: C34H61NO8 MolecularWeight: 611.85004

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H61NO8/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(37)43-33-31(35-27(5)36)34(40-23-7-2)42-28(32(33)39)25-41-30(38)24-26(3)4/h7,26,28,31-34,39H,2,6,8-25H2,1,3-5H3,(H,35,36)/t28-,31-,32-,33-,34+/m1/s1