[(2R,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl hexadecanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl hexadecanoate Openeye Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C28H52O12 MolecularWeight: 580.70528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2O)CO)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O)O)O

InChI

InChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(30)37-17-19-22(32)23(33)25(35)28(39-19)40-26-24(34)21(31)18(16-29)38-27(26)36/h18-19,21-29,31-36H,2-17H2,1H3/t18-,19-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1