[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6S)-4,5-bis(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)-6-phenylsulfanyl-oxan-3-yl]oxy-3-oxidanyl-4,5-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6S)-4,5-bis(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)-6-phenylsulfanyl-oxan-3-yl]oxy-3-oxidanyl-4,5-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-6-[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-phenylsulfanyl-tetrahydropyran-3-yl]oxy-3-hydroxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-6-[[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-(phenylthio)-3-oxanyl]oxy]-3-hydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-6-[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3-hydroxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-6-[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-(phenylthio)tetrahydropyran-3-yl]oxy-3-hydroxy-tetrahydropyran-2-yl]methyl ester Formula: C60H50O16S MolecularWeight: 1059.0944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3C(OC(C(C3OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)SC6=CC=CC=C6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)SC6=CC=CC=C6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)O

InChI

InChI=1S/C60H50O16S/c61-47-45(36-68-53(62)38-22-8-1-9-23-38)70-59(51(74-57(66)42-30-16-5-17-31-42)49(47)72-55(64)40-26-12-3-13-27-40)76-48-46(37-69-54(63)39-24-10-2-11-25-39)71-60(77-44-34-20-7-21-35-44)52(75-58(67)43-32-18-6-19-33-43)50(48)73-56(65)41-28-14-4-15-29-41/h1-35,45-52,59-61H,36-37H2/t45-,46-,47+,48-,49+,50+,51-,52-,59+,60+/m1/s1