[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R)-6-acetyloxy-2-(acetyloxymethyl)-4-(phenylcarbonyloxy)-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-3-yl]oxy-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R)-6-acetyloxy-2-(acetyloxymethyl)-4-(phenylcarbonyloxy)-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-3-yl]oxy-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R)-6-acetoxy-2-(acetoxymethyl)-4-benzoyloxy-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-3-yl]oxy-3,4-dibenzoyloxy-5-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R)-6-acetyloxy-2-(acetyloxymethyl)-4-benzoyloxy-5-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-3-oxanyl]oxy]-3,4-dibenzoyloxy-5-(1,3-dioxo-2-isoindolyl)-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R)-6-acetyloxy-2-(acetyloxymethyl)-4-benzoyloxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-3,4-dibenzoyloxy-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R)-6-acetoxy-2-(acetoxymethyl)-4-benzoyloxy-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-3-yl]oxy-3,4-dibenzoyloxy-5-phthalimido-tetrahydropyran-2-yl]methyl ester Formula: C55H47Cl3N2O19 MolecularWeight: 1146.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C2=CC=CC=C2)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)N7C(=O)C8=CC=CC=C8C7=O

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)N7C(=O)C8=CC=CC=C8C7=O

InChI

InChI=1S/C55H47Cl3N2O19/c1-30(61)70-27-38-42(44(77-50(67)34-21-11-5-12-22-34)40(52(74-38)73-31(2)62)59-54(69)72-29-55(56,57)58)79-53-41(60-46(63)36-25-15-16-26-37(36)47(60)64)45(78-51(68)35-23-13-6-14-24-35)43(76-49(66)33-19-9-4-10-20-33)39(75-53)28-71-48(65)32-17-7-3-8-18-32/h3-26,38-45,52-53H,27-29H2,1-2H3,(H,59,69)/t38-,39-,40-,41-,42-,43-,44-,45-,52?,53+/m1/s1