[6-(hydroxymethyl)-2-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] 16-methylheptadecanoate

Systemtic Name: [6-(hydroxymethyl)-2-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] 16-methylheptadecanoate Openeye Name: [3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyl-tetrahydropyran-2-yl] 16-methylheptadecanoate CAS Name: 16-methylheptadecanoic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyl-2-oxanyl] ester IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl] 16-methylheptadecanoate Traditional Name: 16-methylheptadecanoic acid (3,4,5-trihydroxy-2-methyl-6-methylol-tetrahydropyran-2-yl) ester Formula: C25H48O7 MolecularWeight: 460.64442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)OC1(C(C(C(C(O1)CO)O)O)O)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)OC1(C(C(C(C(O1)CO)O)O)O)C

InChI

InChI=1S/C25H48O7/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(27)32-25(3)24(30)23(29)22(28)20(18-26)31-25/h19-20,22-24,26,28-30H,4-18H2,1-3H3