[(2S,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6S)-4-(2-chloranylethanoyloxy)-6-methyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-5-phenylmethoxy-2-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6S)-4-(2-chloranylethanoyloxy)-6-methyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-5-phenylmethoxy-2-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-3-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetoxy-6-(acetoxymethyl)-4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6S)-3-benzoyloxy-5-benzyloxy-4-(2-chloroacetyl)oxy-6-methyl-tetrahydropyran-2-yl]oxy-4,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-benzyloxy-6-methyl-2-(2,2,2-trichloroethanimidoyl)oxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[[(2S,3R,4S,5S,6R)-3-[[(2S,3R,4R,5S,6S)-3-benzoyloxy-4-(2-chloro-1-oxoethoxy)-6-methyl-5-phenylmethoxy-2-oxanyl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-methyl-5-phenylmethoxy-2-(2,2,2-trichloro-1-iminoethoxy)-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6S)-3-benzoyloxy-4-(2-chloroacetyl)oxy-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-5-phenylmethoxy-2-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetoxy-6-(acetoxymethyl)-4-[(2S,3R,4S,5S,6R)-4,5-dibenzoxy-3-[(2S,3R,4R,5S,6S)-5-benzoxy-3-benzoyloxy-4-(2-chloroacetyl)oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-benzoxy-6-methyl-2-(2,2,2-trichloroacetimidoyl)oxy-tetrahydropyran-3-yl] ester Formula: C83H88Cl4N2O24 MolecularWeight: 1639.39782

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC(=O)C)COC(=O)C)OC4C(C(OC(C4OC(=O)C5=CC=CC=C5)OC(=N)C(Cl)(Cl)Cl)C)OCC6=CC=CC=C6)NC(=O)C)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OC(=O)CCl)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3OC(=O)C)COC(=O)C)O[C@@H]4[C@H]([C@@H](O[C@H]([C@@H]4OC(=O)C5=CC=CC=C5)OC(=N)C(Cl)(Cl)Cl)C)OCC6=CC=CC=C6)NC(=O)C)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OC(=O)CCl)OCC1=CC=CC=C1

InChI

InChI=1S/C83H88Cl4N2O24/c1-49-65(98-43-55-29-15-7-16-30-55)71(107-63(93)41-84)74(108-76(94)59-37-23-11-24-38-59)79(102-49)112-73-70(101-46-58-35-21-10-22-36-58)67(100-45-57-33-19-9-20-34-57)61(47-96-42-54-27-13-6-14-28-54)106-81(73)110-69-64(89-51(3)90)78(105-62(48-97-52(4)91)68(69)104-53(5)92)111-72-66(99-44-56-31-17-8-18-32-56)50(2)103-80(113-82(88)83(85,86)87)75(72)109-77(95)60-39-25-12-26-40-60/h6-40,49-50,61-62,64-75,78-81,88H,41-48H2,1-5H3,(H,89,90)/t49-,50-,61+,62+,64+,65-,66-,67-,68+,69+,70-,71+,72+,73+,74+,75+,78+,79-,80-,81+/m0/s1