methyl (2S,4S,5R)-2-[(2R,3S,4S,5R,6R)-3-[[(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-7-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-8-[2,2,2-tris(chloranyl)ethoxycarbonyloxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]oxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-4-yl]oxy-5-acetamido-6-[(R)-[(2S,3R,6S,10R)-3-acetamido-2-acetyloxy-7-oxidanylidene-4-[(1R,2R)-1,2,4-triacetyloxybutyl]-5,8,11-trioxaspiro[5.5]undecan-10-yl]-acetyloxy-methyl]-4-acetyloxy-oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-2-[(2R,3S,4S,5R,6R)-3-[[(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-7-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-8-[2,2,2-tris(chloranyl)ethoxycarbonyloxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]oxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-4-yl]oxy-5-acetamido-6-[(R)-[(2S,3R,6S,10R)-3-acetamido-2-acetyloxy-7-oxidanylidene-4-[(1R,2R)-1,2,4-triacetyloxybutyl]-5,8,11-trioxaspiro[5.5]undecan-10-yl]-acetyloxy-methyl]-4-acetyloxy-oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R)-2-[(2R,3S,4S,5R,6R)-3-[[(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-7-(2,2,2-trichloroethoxycarbonylamino)-8-(2,2,2-trichloroethoxycarbonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]oxy]-5-benzyloxy-2-(benzyloxymethyl)-6-(2-trimethylsilylethoxy)tetrahydropyran-4-yl]oxy-5-acetamido-6-[(R)-[(2S,3R,6S,10R)-3-acetamido-2-acetoxy-7-oxo-4-[(1R,2R)-1,2,4-triacetoxybutyl]-5,8,11-trioxaspiro[5.5]undecan-10-yl]-acetoxy-methyl]-4-acetoxy-tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R)-2-[[(2R,3S,4S,5R,6R)-3-[[(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[oxo(2,2,2-trichloroethoxy)methoxy]-7-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]oxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)-4-oxanyl]oxy]-5-acetamido-6-[(R)-[(2S,3R,6S,10R)-3-acetamido-2-acetyloxy-7-oxo-4-[(1R,2R)-1,2,4-triacetyloxybutyl]-5,8,11-trioxaspiro[5.5]undecan-10-yl]-acetyloxymethyl]-4-acetyloxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-2-[(2R,3S,4S,5R,6R)-3-[[(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-7-(2,2,2-trichloroethoxycarbonylamino)-8-(2,2,2-trichloroethoxycarbonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]oxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-4-yl]oxy-5-acetamido-6-[(R)-[(2S,3R,6S,10R)-3-acetamido-2-acetyloxy-7-oxo-4-[(1R,2R)-1,2,4-triacetyloxybutyl]-5,8,11-trioxaspiro[5.5]undecan-10-yl]-acetyloxymethyl]-4-acetyloxyoxane-2-carboxylate Traditional Name: (2S,4S,5R)-2-[(2R,3S,4S,5R,6R)-3-[[(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-7-(2,2,2-trichloroethoxycarbonylamino)-8-(2,2,2-trichloroethoxycarbonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]oxy]-5-benzoxy-2-(benzoxymethyl)-6-(2-trimethylsilylethoxy)tetrahydropyran-4-yl]oxy-5-acetamido-6-[(R)-[(2S,3R,6S,10R)-3-acetamido-2-acetoxy-7-keto-4-[(1R,2R)-1,2,4-triacetoxybutyl]-5,8,11-trioxaspiro[5.5]undecan-10-yl]-acetoxy-methyl]-4-acetoxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C81H113Cl6N3O35Si2 MolecularWeight: 1957.65202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC2(C(=O)OCC(O2)C(C3C(C(CC(O3)(C(=O)OC)OC4C(C(OC(C4OCC5=CC=CC=C5)OCC[Si](C)(C)C)COCC6=CC=CC=C6)OC7C(C(C8C(O7)CO[Si](O8)(C(C)(C)C)C(C)(C)C)OC(=O)OCC(Cl)(Cl)Cl)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)NC(=O)C)OC(=O)C)OC1C(C(CCOC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@]2(C(=O)OC[C@@H](O2)[C@@H](C3[C@@H]([C@H](C[C@@](O3)(C(=O)OC)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4OCC5=CC=CC=C5)OCC[Si](C)(C)C)COCC6=CC=CC=C6)O[C@@H]7[C@@H]([C@H]([C@@H]8[C@H](O7)CO[Si](O8)(C(C)(C)C)C(C)(C)C)OC(=O)OCC(Cl)(Cl)Cl)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)NC(=O)C)OC(=O)C)OC1[C@@H]([C@@H](CCOC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C81H113Cl6N3O35Si2/c1-42(91)88-58-54(114-47(6)96)34-79(123-66(58)61(115-48(7)97)52(112-45(4)94)29-30-105-44(3)93)73(100)108-38-57(121-79)63(116-49(8)98)67-59(89-43(2)92)53(113-46(5)95)33-78(122-67,72(99)103-15)124-68-62(55(37-104-35-50-25-21-19-22-26-50)118-71(106-31-32-126(16,17)18)69(68)107-36-51-27-23-20-24-28-51)119-70-60(90-74(101)109-40-80(82,83)84)65(120-75(102)110-41-81(85,86)87)64-56(117-70)39-111-127(125-64,76(9,10)11)77(12,13)14/h19-28,52-71H,29-41H2,1-18H3,(H,88,91)(H,89,92)(H,90,101)/t52-,53+,54+,55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65-,66?,67?,68+,69-,70-,71-,78+,79-/m1/s1