[(1R,2S,3R,4R,5R,6S)-3-acetyloxy-4-butanoyloxy-5-(phenylcarbonyloxy)-2,6-bis(phenylmethoxy)cyclohexyl] benzoate

Systemtic Name: [(1R,2S,3R,4R,5R,6S)-3-acetyloxy-4-butanoyloxy-5-(phenylcarbonyloxy)-2,6-bis(phenylmethoxy)cyclohexyl] benzoate Openeye Name: [(1R,2S,3R,4R,5R,6S)-3-acetoxy-5-benzoyloxy-2,6-dibenzyloxy-4-butanoyloxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,3R,4R,5R,6S)-3-acetyloxy-5-benzoyloxy-4-(1-oxobutoxy)-2,6-bis(phenylmethoxy)cyclohexyl] ester IUPAC Name: [(1R,2S,3R,4R,5R,6S)-3-acetyloxy-5-benzoyloxy-4-butanoyloxy-2,6-bis(phenylmethoxy)cyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,3R,4R,5R,6S)-3-acetoxy-2,6-dibenzoxy-5-benzoyloxy-4-butyryloxy-cyclohexyl] ester Formula: C40H40O10 MolecularWeight: 680.7396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(C(C(C(C1OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C

Isomeric SMILES

CCCC(=O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C

InChI

InChI=1S/C40H40O10/c1-3-16-32(42)48-38-36(47-27(2)41)33(45-25-28-17-8-4-9-18-28)35(49-39(43)30-21-12-6-13-22-30)34(46-26-29-19-10-5-11-20-29)37(38)50-40(44)31-23-14-7-15-24-31/h4-15,17-24,33-38H,3,16,25-26H2,1-2H3/t33-,34+,35-,36-,37-,38-/m1/s1