20-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-tetradecyl-icosanoic acid

Systemtic Name: 20-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-tetradecyl-icosanoic acid Openeye Name: 2-tetradecyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]icosanoic acid CAS Name: 2-tetradecyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]eicosanoic acid IUPAC Name: 2-tetradecyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]icosanoic acid Traditional Name: 2-myristyl-20-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)arachidic acid Formula: C40H78O7 MolecularWeight: 671.04312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC1C(C(C(C(O1)CO)O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC1C(C(C(C(O1)CO)O)O)O)C(=O)O

InChI

InChI=1S/C40H78O7/c1-2-3-4-5-6-7-8-15-18-21-24-27-30-34(40(45)46)31-28-25-22-19-16-13-11-9-10-12-14-17-20-23-26-29-32-35-37(42)39(44)38(43)36(33-41)47-35/h34-39,41-44H,2-33H2,1H3,(H,45,46)