[(1S,6S,7R,8R,8aR)-1-oxidanyl-7-(phenylcarbonyloxy)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] benzoate

Systemtic Name: [(1S,6S,7R,8R,8aR)-1-oxidanyl-7-(phenylcarbonyloxy)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] benzoate Openeye Name: [(1S,6S,7R,8R,8aR)-7-benzoyloxy-1-hydroxy-8-[(2R,3R,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] benzoate CAS Name: benzoic acid [(1S,6S,7R,8R,8aR)-7-benzoyloxy-1-hydroxy-8-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] ester IUPAC Name: [(1S,6S,7R,8R,8aR)-7-benzoyloxy-1-hydroxy-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] benzoate Traditional Name: benzoic acid [(1S,6S,7R,8R,8aR)-7-benzoyloxy-1-hydroxy-8-[(2R,3R,4S,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-indolizidin-6-yl] ester Formula: C56H57NO11 MolecularWeight: 920.05188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CC(C(C(C2C1O)OC3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

Isomeric SMILES

C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

InChI

InChI=1S/C56H57NO11/c58-45-31-32-57-33-46(65-54(59)43-27-15-5-16-28-43)50(67-55(60)44-29-17-6-18-30-44)51(48(45)57)68-56-53(64-37-42-25-13-4-14-26-42)52(63-36-41-23-11-3-12-24-41)49(62-35-40-21-9-2-10-22-40)47(66-56)38-61-34-39-19-7-1-8-20-39/h1-30,45-53,56,58H,31-38H2/t45-,46-,47+,48+,49+,50+,51+,52-,53+,56-/m0/s1