methyl (2S,3S,4S,5R,6R)-3-(2-chloranylethanoyloxy)-6-[(2R,3R,4R,5R,6R)-2-methoxy-6-(phenylcarbonyloxymethyl)-5-phenylmethoxy-3-[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,6R)-2-methoxy-6-(phenylcarbonyloxymethyl)-5-phenylmethoxy-3-[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-6-[(2R,3R,4R,5R,6R)-2-(benzoyloxymethyl)-3-benzyloxy-6-methoxy-5-[(2,2,2-trichloroacetyl)amino]tetrahydropyran-4-yl]oxy-4-benzyloxy-3-(2-chloroacetyl)oxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-5-benzoyloxy-6-[[(2R,3R,4R,5R,6R)-2-(benzoyloxymethyl)-6-methoxy-3-phenylmethoxy-5-[(2,2,2-trichloro-1-oxoethyl)amino]-4-oxanyl]oxy]-3-(2-chloro-1-oxoethoxy)-4-phenylmethoxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6R)-5-benzoyloxy-6-[(2R,3R,4R,5R,6R)-2-(benzoyloxymethyl)-6-methoxy-3-phenylmethoxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-3-(2-chloroacetyl)oxy-4-phenylmethoxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-4-benzoxy-6-[(2R,3R,4R,5R,6R)-3-benzoxy-2-(benzoyloxymethyl)-6-methoxy-5-[(2,2,2-trichloroacetyl)amino]tetrahydropyran-4-yl]oxy-5-benzoyloxy-3-(2-chloroacetyl)oxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C46H45Cl4NO15 MolecularWeight: 993.6592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)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

CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C2=CC=CC=C2)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/C46H45Cl4NO15/c1-57-42(55)38-37(63-32(52)23-47)36(60-25-28-17-9-4-10-18-28)39(64-41(54)30-21-13-6-14-22-30)44(66-38)65-35-33(51-45(56)46(48,49)50)43(58-2)62-31(26-61-40(53)29-19-11-5-12-20-29)34(35)59-24-27-15-7-3-8-16-27/h3-22,31,33-39,43-44H,23-26H2,1-2H3,(H,51,56)/t31-,33-,34+,35-,36+,37+,38+,39-,43-,44-/m1/s1