11-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-hexadecanoic acid

Systemtic Name: 11-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-hexadecanoic acid Openeye Name: 3-hydroxy-11-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-hexadecanoic acid CAS Name: 3-hydroxy-11-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]hexadecanoic acid IUPAC Name: 3-hydroxy-11-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexadecanoic acid Traditional Name: 3-hydroxy-11-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-palmitic acid Formula: C22H42O8 MolecularWeight: 434.56408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCCCCC(CC(=O)O)O)OC1C(C(C(C(O1)C)O)O)O

Isomeric SMILES

CCCCCC(CCCCCCCC(CC(=O)O)O)OC1C(C(C(C(O1)C)O)O)O

InChI

InChI=1S/C22H42O8/c1-3-4-8-12-17(30-22-21(28)20(27)19(26)15(2)29-22)13-10-7-5-6-9-11-16(23)14-18(24)25/h15-17,19-23,26-28H,3-14H2,1-2H3,(H,24,25)