[(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-4-(2,2-dimethylpropanoyloxy)-6-(2,2-dimethylpropanoyloxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-phenylmethoxy-oxan-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-4-(2,2-dimethylpropanoyloxy)-6-(2,2-dimethylpropanoyloxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-phenylmethoxy-oxan-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(2R,3S,4R,5R,6R)-5-acetamido-6-benzyloxy-3-[(2S,3R,4S,5S,6R)-3,5-diacetoxy-4-(2,2-dimethylpropanoyloxy)-6-(2,2-dimethylpropanoyloxymethyl)tetrahydropyran-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3S,4R,5R,6R)-5-acetamido-3-[[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-4-(2,2-dimethyl-1-oxopropoxy)-6-[(2,2-dimethyl-1-oxopropoxy)methyl]-2-oxanyl]oxy]-4-[[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]oxy]-6-phenylmethoxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-4-(2,2-dimethylpropanoyloxy)-6-(2,2-dimethylpropanoyloxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R,3S,4R,5R,6R)-5-acetamido-6-benzoxy-3-[(2S,3R,4S,5S,6R)-3,5-diacetoxy-4-pivaloyloxy-6-(pivaloyloxymethyl)tetrahydropyran-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C67H87NO20 MolecularWeight: 1226.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)COC(=O)C(C)(C)C)OC(=O)C)OC(=O)C(C)(C)C)OC(=O)C)COC(=O)C(C)(C)C)OCC4=CC=CC=C4)NC(=O)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C(C)(C)C)OC(=O)C)OC(=O)C(C)(C)C)OC(=O)C)COC(=O)C(C)(C)C)OCC4=CC=CC=C4)NC(=O)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C67H87NO20/c1-40-51(75-34-44-26-18-14-19-27-44)55(76-35-45-28-20-15-21-29-45)57(77-36-46-30-22-16-23-31-46)60(81-40)87-54-50(68-41(2)69)59(78-37-47-32-24-17-25-33-47)84-48(38-79-62(72)65(5,6)7)52(54)86-61-58(83-43(4)71)56(88-64(74)67(11,12)13)53(82-42(3)70)49(85-61)39-80-63(73)66(8,9)10/h14-33,40,48-61H,34-39H2,1-13H3,(H,68,69)/t40-,48+,49+,50+,51+,52+,53-,54+,55+,56-,57-,58+,59+,60-,61-/m0/s1