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

Systemtic Name: [6-[2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl icosanoate Openeye Name: [3,4,5-trihydroxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl icosanoate CAS Name: eicosanoic acid [3,4,5-trihydroxy-6-[[4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-trihydroxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl icosanoate Traditional Name: arachidic acid [3,4,5-trihydroxy-6-(4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl)oxy-tetrahydropyran-2-yl]methyl ester Formula: C32H60O12 MolecularWeight: 636.8116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O

InChI

InChI=1S/C32H60O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(34)41-21-23-25(35)26(36)29(39)32(43-23)44-30-22(20-33)42-31(40)28(38)27(30)37/h22-23,25-33,35-40H,2-21H2,1H3