[(Z,15R)-17-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]hentriacont-16-en-15-yl] benzoate

Systemtic Name: [(Z,15R)-17-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]hentriacont-16-en-15-yl] benzoate Openeye Name: [(Z,1R)-1-tetradecyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-2-enyl] benzoate CAS Name: benzoic acid [(Z,15R)-17-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]hentriacont-16-en-15-yl] ester IUPAC Name: [(Z,15R)-17-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]hentriacont-16-en-15-yl] benzoate Traditional Name: benzoic acid [(Z,1R)-1-myristyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]heptadec-2-enyl] ester Formula: C45H78O8 MolecularWeight: 747.09602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C=C(CCCCCCCCCCCCCC)COC1C(C(C(C(O1)CO)O)O)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCC[C@H](/C=C(/CCCCCCCCCCCCCC)\CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C45H78O8/c1-3-5-7-9-11-13-15-17-19-21-23-26-30-37(36-51-45-43(49)42(48)41(47)40(35-46)53-45)34-39(52-44(50)38-31-27-25-28-32-38)33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25,27-28,31-32,34,39-43,45-49H,3-24,26,29-30,33,35-36H2,1-2H3/b37-34-/t39-,40-,41-,42+,43-,45-/m1/s1