[(3R,4R,5R,6R)-6-(hydroxymethyl)-2-methoxy-4-pentadecanoyloxy-5-sulfooxy-oxan-3-yl] hexadecanoate

Systemtic Name: [(3R,4R,5R,6R)-6-(hydroxymethyl)-2-methoxy-4-pentadecanoyloxy-5-sulfooxy-oxan-3-yl] hexadecanoate Openeye Name: [(3R,4R,5R,6R)-6-(hydroxymethyl)-2-methoxy-4-pentadecanoyloxy-5-sulfooxy-tetrahydropyran-3-yl] hexadecanoate CAS Name: hexadecanoic acid [(3R,4R,5R,6R)-6-(hydroxymethyl)-2-methoxy-4-(1-oxopentadecoxy)-5-sulfooxy-3-oxanyl] ester IUPAC Name: [(3R,4R,5R,6R)-6-(hydroxymethyl)-2-methoxy-4-pentadecanoyloxy-5-sulfooxyoxan-3-yl] hexadecanoate Traditional Name: palmitic acid [(3R,4R,5R,6R)-2-methoxy-6-methylol-4-pentadecanoyloxy-5-sulfoxy-tetrahydropyran-3-yl] ester Formula: C38H72O11S MolecularWeight: 737.03668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1OC)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H]([C@H](OC1OC)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCCCCCCC

InChI

InChI=1S/C38H72O11S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(41)48-37-36(35(49-50(42,43)44)32(31-39)46-38(37)45-3)47-33(40)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32,35-39H,4-31H2,1-3H3,(H,42,43,44)/t32-,35-,36+,37-,38?/m1/s1