[(2R)-2-[(2S,3S,4R,5R)-5-[[(2R,3R,4S,5R,6S)-6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]-2-(phenylcarbonyloxy)ethyl] benzoate

Systemtic Name: [(2R)-2-[(2S,3S,4R,5R)-5-[[(2R,3R,4S,5R,6S)-6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]-2-(phenylcarbonyloxy)ethyl] benzoate Openeye Name: [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-[[(2R,3R,4S,5R,6S)-3,4,5-tribenzyloxy-6-ethylsulfanyl-tetrahydropyran-2-yl]methoxy]tetrahydrofuran-2-yl]ethyl] benzoate CAS Name: benzoic acid [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-[[(2R,3R,4S,5R,6S)-6-(ethylthio)-3,4,5-tris(phenylmethoxy)-2-oxanyl]methoxy]-2-oxolanyl]ethyl] ester IUPAC Name: [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-[[(2R,3R,4S,5R,6S)-6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxolan-2-yl]ethyl] benzoate Traditional Name: benzoic acid [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-[[(2R,3R,4S,5R,6S)-3,4,5-tribenzoxy-6-(ethylthio)tetrahydropyran-2-yl]methoxy]tetrahydrofuran-2-yl]ethyl] ester Formula: C63H60O14S MolecularWeight: 1073.2071

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)COC2C(C(C(O2)C(COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C63H60O14S/c1-2-78-63-57(70-40-45-28-14-5-15-29-45)54(69-39-44-26-12-4-13-27-44)52(68-38-43-24-10-3-11-25-43)50(74-63)42-72-62-56(76-61(67)49-36-22-9-23-37-49)55(75-60(66)48-34-20-8-21-35-48)53(77-62)51(73-59(65)47-32-18-7-19-33-47)41-71-58(64)46-30-16-6-17-31-46/h3-37,50-57,62-63H,2,38-42H2,1H3/t50-,51-,52-,53+,54+,55+,56-,57-,62-,63+/m1/s1