[(2R,3R,4S,5R)-5-[[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-phenylsulfanyl-oxan-3-yl]oxy-dimethyl-silyl]oxy-3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R)-5-[[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-phenylsulfanyl-oxan-3-yl]oxy-dimethyl-silyl]oxy-3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-(benzoyloxymethyl)-5-[[(2R,3R,4S,5R,6R)-4,5-diacetoxy-6-(acetoxymethyl)-2-phenylsulfanyl-tetrahydropyran-3-yl]oxy-dimethyl-silyl]oxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-(benzoyloxymethyl)-5-[[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-(phenylthio)-3-oxanyl]oxy-dimethylsilyl]oxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-(benzoyloxymethyl)-5-[[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-phenylsulfanyloxan-3-yl]oxy-dimethylsilyl]oxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-(benzoyloxymethyl)-5-[[(2R,3R,4S,5R,6R)-4,5-diacetoxy-6-(acetoxymethyl)-2-(phenylthio)tetrahydropyran-3-yl]oxy-dimethyl-silyl]oxy-tetrahydrofuran-2-yl]methyl ester Formula: C54H54O18SSi MolecularWeight: 1051.14626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)O[Si](C)(C)OC3(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)COC(=O)C7=CC=CC=C7)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)SC2=CC=CC=C2)O[Si](C)(C)O[C@@]3([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)COC(=O)C7=CC=CC=C7)OC(=O)C)OC(=O)C

InChI

InChI=1S/C54H54O18SSi/c1-34(55)62-31-42-44(65-35(2)56)46(66-36(3)57)47(53(67-42)73-41-29-19-10-20-30-41)71-74(4,5)72-54(33-64-50(59)38-23-13-7-14-24-38)48(69-52(61)40-27-17-9-18-28-40)45(68-51(60)39-25-15-8-16-26-39)43(70-54)32-63-49(58)37-21-11-6-12-22-37/h6-30,42-48,53H,31-33H2,1-5H3/t42-,43-,44-,45-,46+,47-,48+,53-,54-/m1/s1