[(2R,3S,4R,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7,8-bis(oxidanyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[(3-acetamido-4-chloranyl-phenyl)methoxy]-4,5-bis(oxidanyl)oxan-2-yl]methyl 3-(trifluoromethyl)benzoate

Systemtic Name: [(2R,3S,4R,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7,8-bis(oxidanyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[(3-acetamido-4-chloranyl-phenyl)methoxy]-4,5-bis(oxidanyl)oxan-2-yl]methyl 3-(trifluoromethyl)benzoate Openeye Name: [(2R,3S,4R,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[(3-acetamido-4-chloro-phenyl)methoxy]-4,5-dihydroxy-tetrahydropyran-2-yl]methyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [(2R,3S,4R,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[(3-acetamido-4-chlorophenyl)methoxy]-4,5-dihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[(3-acetamido-4-chlorophenyl)methoxy]-4,5-dihydroxyoxan-2-yl]methyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [(2R,3S,4R,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(3-acetamido-4-chloro-benzyl)oxy-4,5-dihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C36H37ClF3NO13 MolecularWeight: 784.12609

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)COC2C(C(C(C(O2)COC(=O)C3=CC(=CC=C3)C(F)(F)F)OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)O)O)O)O)Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=CC=C3)C(F)(F)F)O[C@@H]4[C@@H]([C@H]([C@H]5[C@H](O4)CO[C@H](O5)C6=CC=CC=C6)O)O)O)O)Cl

InChI

InChI=1S/C36H37ClF3NO13/c1-17(42)41-23-12-18(10-11-22(23)37)14-49-34-28(45)26(43)31(24(51-34)15-48-32(47)20-8-5-9-21(13-20)36(38,39)40)54-35-29(46)27(44)30-25(52-35)16-50-33(53-30)19-6-3-2-4-7-19/h2-13,24-31,33-35,43-46H,14-16H2,1H3,(H,41,42)/t24-,25-,26-,27-,28-,29-,30-,31-,33-,34-,35-/m1/s1