[(2S,3S,4R,5R)-5-[[(2S,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-2-pent-4-enoxy-4-phenylmethoxy-oxolan-3-yl] benzoate

Systemtic Name: [(2S,3S,4R,5R)-5-[[(2S,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-2-pent-4-enoxy-4-phenylmethoxy-oxolan-3-yl] benzoate Openeye Name: [(2S,3S,4R,5R)-5-[[(2S,3S,4S,5R,6R)-3-acetoxy-4,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxymethyl]-4-benzyloxy-2-pent-4-enoxy-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,5R)-5-[[(2S,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxymethyl]-2-pent-4-enoxy-4-phenylmethoxy-3-oxolanyl] ester IUPAC Name: [(2S,3S,4R,5R)-5-[[(2S,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-2-pent-4-enoxy-4-phenylmethoxyoxolan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,5R)-5-[[(2S,3S,4S,5R,6R)-3-acetoxy-4,5-dibenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxymethyl]-4-benzoxy-2-pent-4-enoxy-tetrahydrofuran-3-yl] ester Formula: C53H58O12 MolecularWeight: 887.02042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1OCC2C(C(C(O2)OCCCC=C)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

CC(=O)O[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@@H]2[C@H]([C@@H]([C@H](O2)OCCCC=C)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C53H58O12/c1-3-4-20-31-57-52-49(65-51(55)43-29-18-9-19-30-43)47(59-34-41-25-14-7-15-26-41)45(64-52)37-61-53-50(62-38(2)54)48(60-35-42-27-16-8-17-28-42)46(58-33-40-23-12-6-13-24-40)44(63-53)36-56-32-39-21-10-5-11-22-39/h3,5-19,21-30,44-50,52-53H,1,4,20,31-37H2,2H3/t44-,45-,46-,47-,48+,49+,50+,52+,53+/m1/s1