[(1R,3R,4S,5S,6R,7R)-1-methyl-4-oxidanyl-6-(phenylcarbonyloxy)-3,4,5-tris(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-7-yl] benzoate

Systemtic Name: [(1R,3R,4S,5S,6R,7R)-1-methyl-4-oxidanyl-6-(phenylcarbonyloxy)-3,4,5-tris(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-7-yl] benzoate Openeye Name: [(1R,3R,4S,5S,6R,7R)-6-benzoyloxy-3,4,5-tris(benzyloxymethyl)-4-hydroxy-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-yl] benzoate CAS Name: benzoic acid [(1R,3R,4S,5S,6R,7R)-6-benzoyloxy-4-hydroxy-1-methyl-3,4,5-tris(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-7-yl] ester IUPAC Name: [(1R,3R,4S,5S,6R,7R)-6-benzoyloxy-4-hydroxy-1-methyl-3,4,5-tris(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-7-yl] benzoate Traditional Name: benzoic acid [(1R,3R,4S,5S,6R,7R)-3,4,5-tris(benzoxymethyl)-6-benzoyloxy-4-hydroxy-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-yl] ester Formula: C45H44O10 MolecularWeight: 744.82486

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(O1)(C(C(O2)COCC3=CC=CC=C3)(COCC4=CC=CC=C4)O)COCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

Isomeric SMILES

C[C@]12[C@@H]([C@H]([C@](O1)([C@@]([C@H](O2)COCC3=CC=CC=C3)(COCC4=CC=CC=C4)O)COCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C45H44O10/c1-43-39(52-41(46)36-23-13-5-14-24-36)40(53-42(47)37-25-15-6-16-26-37)45(55-43,32-51-29-35-21-11-4-12-22-35)44(48,31-50-28-34-19-9-3-10-20-34)38(54-43)30-49-27-33-17-7-2-8-18-33/h2-26,38-40,48H,27-32H2,1H3/t38-,39-,40-,43-,44+,45+/m1/s1