dimethyl (2R)-2-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxybutanedioate

Systemtic Name: dimethyl (2R)-2-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxybutanedioate Openeye Name: dimethyl (2R)-2-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxybutanedioate CAS Name: (2R)-2-[[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)-2-oxanyl]oxy]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2R)-2-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxybutanedioate Traditional Name: (2R)-2-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxysuccinic acid dimethyl ester Formula: C40H36O14 MolecularWeight: 740.70544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)OC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C[C@H](C(=O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C40H36O14/c1-47-31(41)23-29(39(46)48-2)50-40-34(54-38(45)28-21-13-6-14-22-28)33(53-37(44)27-19-11-5-12-20-27)32(52-36(43)26-17-9-4-10-18-26)30(51-40)24-49-35(42)25-15-7-3-8-16-25/h3-22,29-30,32-34,40H,23-24H2,1-2H3/t29-,30-,32-,33+,34-,40-/m1/s1