[(2R,3R,4S,5R,6R)-3-(4-chlorophenyl)carbonyloxy-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] 4-chloranylbenzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3-(4-chlorophenyl)carbonyloxy-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] 4-chloranylbenzoate Openeye Name: [(2R,3R,4S,5R,6R)-3-benzyloxy-5-(4-chlorobenzoyl)oxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxymethyl]-6-[[(2R,3R,4S,5R,6S)-3,4,5-tribenzyloxy-6-methoxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-4-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2R,3R,4S,5R,6R)-3-[(4-chlorophenyl)-oxomethoxy]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)-2-oxanyl]methoxy]-5-phenylmethoxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxymethyl]-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-3-(4-chlorobenzoyl)oxy-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(2R,3R,4S,5R,6R)-3-benzoxy-5-(4-chlorobenzoyl)oxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxymethyl]-6-[[(2R,3R,4S,5R,6S)-3,4,5-tribenzoxy-6-methoxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-4-yl] ester Formula: C89H88Cl2O18 MolecularWeight: 1516.54622

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OC(=O)C9=CC=C(C=C9)Cl)OC(=O)C1=CC=C(C=C1)Cl)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[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)OC(=O)C9=CC=C(C=C9)Cl)OC(=O)C1=CC=C(C=C1)Cl)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C89H88Cl2O18/c1-94-87-82(101-56-67-38-22-8-23-39-67)79(99-54-65-34-18-6-19-35-65)77(97-52-63-30-14-4-15-31-63)74(105-87)59-104-89-84(109-86(93)70-44-48-72(91)49-45-70)81(108-85(92)69-42-46-71(90)47-43-69)78(98-53-64-32-16-5-17-33-64)75(107-89)60-103-88-83(102-57-68-40-24-9-25-41-68)80(100-55-66-36-20-7-21-37-66)76(96-51-62-28-12-3-13-29-62)73(106-88)58-95-50-61-26-10-2-11-27-61/h2-49,73-84,87-89H,50-60H2,1H3/t73-,74-,75-,76-,77-,78-,79+,80+,81+,82-,83-,84-,87+,88-,89-/m1/s1