[(2R,3S,4R,5S,6S)-5-acetamido-6-[(2R,3R,4R,5S,6S)-6-methyl-2,4,5-tris(phenylmethoxy)oxan-3-yl]oxy-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4R,5S,6S)-5-acetamido-6-[(2R,3R,4R,5S,6S)-6-methyl-2,4,5-tris(phenylmethoxy)oxan-3-yl]oxy-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4R,5S,6S)-5-acetamido-3,4-dibenzoyloxy-6-[(2R,3R,4R,5S,6S)-2,4,5-tribenzyloxy-6-methyl-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4R,5S,6S)-5-acetamido-3,4-dibenzoyloxy-6-[[(2R,3R,4R,5S,6S)-6-methyl-2,4,5-tris(phenylmethoxy)-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5S,6S)-5-acetamido-3,4-dibenzoyloxy-6-[(2R,3R,4R,5S,6S)-6-methyl-2,4,5-tris(phenylmethoxy)oxan-3-yl]oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4R,5S,6S)-5-acetamido-3,4-dibenzoyloxy-6-[(2R,3R,4R,5S,6S)-2,4,5-tribenzoxy-6-methyl-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C56H55NO13 MolecularWeight: 950.0348

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2=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)NC(=O)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC2=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)NC(=O)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8

InChI

InChI=1S/C56H55NO13/c1-37-47(62-33-39-21-9-3-10-22-39)50(63-34-40-23-11-4-12-24-40)51(56(66-37)65-35-41-25-13-5-14-26-41)70-55-46(57-38(2)58)49(69-54(61)44-31-19-8-20-32-44)48(68-53(60)43-29-17-7-18-30-43)45(67-55)36-64-52(59)42-27-15-6-16-28-42/h3-32,37,45-51,55-56H,33-36H2,1-2H3,(H,57,58)/t37-,45+,46-,47-,48+,49+,50+,51+,55-,56+/m0/s1