methyl (2S,3S,4S,5S,6R)-5-acetyloxy-4-[(S)-acetyloxy-[(2S,3R,4R,5S,6S)-3,5-diacetyloxy-6-methoxycarbonyl-4-(phenylcarbonyloxy)oxan-2-yl]methyl]-6-[bis(ethylsulfanyl)methyl]-3-(phenylsulfonyl)oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5S,6R)-5-acetyloxy-4-[(S)-acetyloxy-[(2S,3R,4R,5S,6S)-3,5-diacetyloxy-6-methoxycarbonyl-4-(phenylcarbonyloxy)oxan-2-yl]methyl]-6-[bis(ethylsulfanyl)methyl]-3-(phenylsulfonyl)oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5S,6R)-5-acetoxy-4-[(S)-acetoxy-[(2S,3R,4R,5S,6S)-3,5-diacetoxy-4-benzoyloxy-6-methoxycarbonyl-tetrahydropyran-2-yl]methyl]-3-(benzenesulfonyl)-6-[bis(ethylsulfanyl)methyl]tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5S,6R)-5-acetyloxy-4-[(S)-acetyloxy-[(2S,3R,4R,5S,6S)-3,5-diacetyloxy-4-benzoyloxy-6-methoxycarbonyl-2-oxanyl]methyl]-3-(benzenesulfonyl)-6-[bis(ethylthio)methyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5S,6R)-5-acetyloxy-4-[(S)-acetyloxy-[(2S,3R,4R,5S,6S)-3,5-diacetyloxy-4-benzoyloxy-6-methoxycarbonyloxan-2-yl]methyl]-3-(benzenesulfonyl)-6-[bis(ethylsulfanyl)methyl]oxane-2-carboxylate Traditional Name: (2S,3S,4S,5S,6R)-5-acetoxy-4-[(S)-acetoxy-[(2S,3R,4R,5S,6S)-3,5-diacetoxy-4-benzoyloxy-6-carbomethoxy-tetrahydropyran-2-yl]methyl]-3-besyl-6-[bis(ethylthio)methyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C41H50O18S3 MolecularWeight: 927.0199

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1C(C(C(C(O1)C(=O)OC)S(=O)(=O)C2=CC=CC=C2)C(C3C(C(C(C(O3)C(=O)OC)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C)SCC

Isomeric SMILES

CCSC([C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C(=O)OC)S(=O)(=O)C2=CC=CC=C2)[C@@H]([C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C)SCC

InChI

InChI=1S/C41H50O18S3/c1-9-60-41(61-10-2)35-29(54-22(4)43)27(37(36(58-35)40(48)52-8)62(49,50)26-19-15-12-16-20-26)28(53-21(3)42)30-31(55-23(5)44)32(59-38(46)25-17-13-11-14-18-25)33(56-24(6)45)34(57-30)39(47)51-7/h11-20,27-37,41H,9-10H2,1-8H3/t27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,37-/m0/s1