methyl (2S,3S,4R,5R,6S)-3,5-diacetyloxy-6-[(S)-acetyloxy-[(1R,2R,5R,6S,7R,8S)-8-acetyloxy-4-oxidanylidene-2-phenylmethoxy-6-(phenylsulfonyl)-3,9-dioxabicyclo[3.3.1]nonan-7-yl]methyl]-4-(phenylcarbonyloxy)oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4R,5R,6S)-3,5-diacetyloxy-6-[(S)-acetyloxy-[(1R,2R,5R,6S,7R,8S)-8-acetyloxy-4-oxidanylidene-2-phenylmethoxy-6-(phenylsulfonyl)-3,9-dioxabicyclo[3.3.1]nonan-7-yl]methyl]-4-(phenylcarbonyloxy)oxane-2-carboxylate Openeye Name: methyl (2S,3S,4R,5R,6S)-3,5-diacetoxy-6-[(S)-acetoxy-[(1R,2R,5R,6S,7R,8S)-8-acetoxy-6-(benzenesulfonyl)-2-benzyloxy-4-oxo-3,9-dioxabicyclo[3.3.1]nonan-7-yl]methyl]-4-benzoyloxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4R,5R,6S)-3,5-diacetyloxy-6-[(S)-acetyloxy-[(1R,2R,5R,6S,7R,8S)-8-acetyloxy-6-(benzenesulfonyl)-4-oxo-2-phenylmethoxy-3,9-dioxabicyclo[3.3.1]nonan-7-yl]methyl]-4-benzoyloxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4R,5R,6S)-3,5-diacetyloxy-6-[(S)-acetyloxy-[(1R,2R,5R,6S,7R,8S)-8-acetyloxy-6-(benzenesulfonyl)-4-oxo-2-phenylmethoxy-3,9-dioxabicyclo[3.3.1]nonan-7-yl]methyl]-4-benzoyloxyoxane-2-carboxylate Traditional Name: (2S,3S,4R,5R,6S)-3,5-diacetoxy-6-[(S)-acetoxy-[(1R,2R,5R,6S,7R,8S)-8-acetoxy-2-benzoxy-6-besyl-4-keto-3,9-dioxabicyclo[3.3.1]nonan-7-yl]methyl]-4-benzoyloxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C43H44O19S MolecularWeight: 896.86306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C2C(=O)OC(C1O2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(C5C(C(C(C(O5)C(=O)OC)OC(=O)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@H]([C@@H]([C@H]2C(=O)O[C@H]([C@@H]1O2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)[C@@H]([C@H]5[C@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C

InChI

InChI=1S/C43H44O19S/c1-22(44)55-30(32-33(57-24(3)46)34(61-40(48)27-17-11-7-12-18-27)35(58-25(4)47)36(59-32)41(49)53-5)29-31(56-23(2)45)37-43(54-21-26-15-9-6-10-16-26)62-42(50)38(60-37)39(29)63(51,52)28-19-13-8-14-20-28/h6-20,29-39,43H,21H2,1-5H3/t29-,30+,31+,32+,33-,34-,35+,36+,37-,38+,39+,43-/m1/s1