(E)-4-[(5R)-5-[(1S)-2-octadecanoyloxy-1-oxidanyl-ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl]oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(5R)-5-[(1S)-2-octadecanoyloxy-1-oxidanyl-ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl]oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[(5R)-2-hydroxy-5-[(1S)-1-hydroxy-2-octadecanoyloxy-ethyl]-4-oxo-3-furyl]oxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(5R)-2-hydroxy-5-[(1S)-1-hydroxy-2-(1-oxooctadecoxy)ethyl]-4-oxo-3-furanyl]oxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(5R)-2-hydroxy-5-[(1S)-1-hydroxy-2-octadecanoyloxyethyl]-4-oxofuran-3-yl]oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[(5R)-2-hydroxy-5-[(1S)-1-hydroxy-2-stearoyloxy-ethyl]-4-keto-3-furyl]oxy]-4-keto-but-2-enoic acid Formula: C28H44O10 MolecularWeight: 540.64296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)OC(=O)C=CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=O)C(=C(O1)O)OC(=O)/C=C/C(=O)O)O

InChI

InChI=1S/C28H44O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)36-20-21(29)26-25(34)27(28(35)38-26)37-24(33)19-18-22(30)31/h18-19,21,26,29,35H,2-17,20H2,1H3,(H,30,31)/b19-18+/t21-,26+/m0/s1