O4-[(2S,3R,4R,5S,6S)-2-ethylsulfanyl-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] O1-[(2R,3R,4S,5R,6S)-3-oxidanyl-5-(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)-6-phenylmethoxy-oxan-4-yl] butanedioate

Systemtic Name: O4-[(2S,3R,4R,5S,6S)-2-ethylsulfanyl-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] O1-[(2R,3R,4S,5R,6S)-3-oxidanyl-5-(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)-6-phenylmethoxy-oxan-4-yl] butanedioate Openeye Name: O1-[(2R,3R,4S,5R,6S)-5-benzoyloxy-2-(benzoyloxymethyl)-6-benzyloxy-3-hydroxy-tetrahydropyran-4-yl] O4-[(2S,3R,4R,5S,6S)-4,5-dibenzyloxy-2-ethylsulfanyl-6-methyl-tetrahydropyran-3-yl] butanedioate CAS Name: butanedioic acid O1-[(2R,3R,4S,5R,6S)-5-benzoyloxy-2-(benzoyloxymethyl)-3-hydroxy-6-phenylmethoxy-4-oxanyl] ester O4-[(2S,3R,4R,5S,6S)-2-(ethylthio)-6-methyl-4,5-bis(phenylmethoxy)-3-oxanyl] ester IUPAC Name: 1-O-[(2R,3R,4S,5R,6S)-5-benzoyloxy-2-(benzoyloxymethyl)-3-hydroxy-6-phenylmethoxyoxan-4-yl] 4-O-[(2S,3R,4R,5S,6S)-2-ethylsulfanyl-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] butanedioate Traditional Name: succinic acid O1-[(2S,3R,4S,5R,6R)-2-benzoxy-3-benzoyloxy-6-(benzoyloxymethyl)-5-hydroxy-tetrahydropyran-4-yl] ester O4-[(2S,3R,4R,5S,6S)-4,5-dibenzoxy-2-(ethylthio)-6-methyl-tetrahydropyran-3-yl] ester Formula: C53H56O14S MolecularWeight: 949.06834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)CCC(=O)OC4C(C(OC(C4OC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6)COC(=O)C7=CC=CC=C7)O

Isomeric SMILES

CCS[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)CCC(=O)O[C@H]4[C@@H]([C@H](O[C@@H]([C@@H]4OC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6)COC(=O)C7=CC=CC=C7)O

InChI

InChI=1S/C53H56O14S/c1-3-68-53-49(47(60-32-37-21-11-5-12-22-37)45(35(2)63-53)59-31-36-19-9-4-10-20-36)66-43(55)30-29-42(54)65-46-44(56)41(34-61-50(57)39-25-15-7-16-26-39)64-52(62-33-38-23-13-6-14-24-38)48(46)67-51(58)40-27-17-8-18-28-40/h4-28,35,41,44-49,52-53,56H,3,29-34H2,1-2H3/t35-,41+,44+,45-,46-,47+,48+,49+,52-,53-/m0/s1