methyl (2S,3S,4S,5R,6R)-3-(2-chloranylethanoyloxy)-6-[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)-3-phenylmethoxy-5-[2,2,2-tris(chloranyl)ethanoylamino]oxan-4-yl]oxy-5-(phenylcarbonyloxy)-4-phenylmethoxy-oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R,6R)-3-(2-chloranylethanoyloxy)-6-[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)-3-phenylmethoxy-5-[2,2,2-tris(chloranyl)ethanoylamino]oxan-4-yl]oxy-5-(phenylcarbonyloxy)-4-phenylmethoxy-oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R,6R)-5-benzoyloxy-4-benzyloxy-6-[(2R,3R,4R,5R,6S)-3-benzyloxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)-5-[(2,2,2-trichloroacetyl)amino]tetrahydropyran-4-yl]oxy-3-(2-chloroacetyl)oxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-5-benzoyloxy-3-(2-chloro-1-oxoethoxy)-6-[[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)-3-phenylmethoxy-5-[(2,2,2-trichloro-1-oxoethyl)amino]-4-oxanyl]oxy]-4-phenylmethoxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6R)-5-benzoyloxy-3-(2-chloroacetyl)oxy-6-[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)-3-phenylmethoxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-4-phenylmethoxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-4-benzoxy-6-[(2S,3R,4R,5R,6R)-5-benzoxy-2-(4-methoxyphenoxy)-6-methylol-3-[(2,2,2-trichloroacetyl)amino]tetrahydropyran-4-yl]oxy-5-benzoyloxy-3-(2-chloroacetyl)oxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C45H45Cl4NO15 MolecularWeight: 981.6485

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)OCC3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)OC)OC(=O)CCl)OCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6)NC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)OCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)CCl)OCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6)NC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C45H45Cl4NO15/c1-56-29-18-20-30(21-19-29)60-42-33(50-44(55)45(47,48)49)35(34(31(23-51)61-42)58-24-26-12-6-3-7-13-26)64-43-39(63-40(53)28-16-10-5-11-17-28)36(59-25-27-14-8-4-9-15-27)37(62-32(52)22-46)38(65-43)41(54)57-2/h3-21,31,33-39,42-43,51H,22-25H2,1-2H3,(H,50,55)/t31-,33-,34+,35-,36+,37+,38+,39-,42-,43-/m1/s1