[(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxolan-2-yl]methyl (E)-but-2-enoate

Systemtic Name: [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxolan-2-yl]methyl (E)-but-2-enoate Openeye Name: [(2R,3R,4S,5S)-3,4-dibenzyloxy-5-(benzyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [(2R,3R,4S,5S)-3,4-dibenzoxy-5-(benzoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl ester Formula: C65H68O12 MolecularWeight: 1041.22822

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC1C(C(C(O1)(COCC2=CC=CC=C2)OC3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

Isomeric SMILES

C/C=C/C(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(COCC2=CC=CC=C2)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)OCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C65H68O12/c1-2-24-58(66)69-47-57-60(71-42-52-31-16-6-17-32-52)63(74-45-55-37-22-9-23-38-55)65(76-57,48-68-40-50-27-12-4-13-28-50)77-64-62(73-44-54-35-20-8-21-36-54)61(72-43-53-33-18-7-19-34-53)59(70-41-51-29-14-5-15-30-51)56(75-64)46-67-39-49-25-10-3-11-26-49/h2-38,56-57,59-64H,39-48H2,1H3/b24-2+/t56-,57-,59-,60-,61+,62-,63+,64-,65+/m1/s1