[(2R,3R,4S,5R,6S)-6-[(2S,3R,4S,5S)-5-acetyloxy-3-(phenylcarbonyloxy)-2-phenylmethoxy-oxan-4-yl]oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6S)-6-[(2S,3R,4S,5S)-5-acetyloxy-3-(phenylcarbonyloxy)-2-phenylmethoxy-oxan-4-yl]oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6S)-6-[(2S,3R,4S,5S)-5-acetoxy-3-benzoyloxy-2-benzyloxy-tetrahydropyran-4-yl]oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6S)-6-[[(2S,3R,4S,5S)-5-acetyloxy-3-benzoyloxy-2-phenylmethoxy-4-oxanyl]oxy]-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-6-[(2S,3R,4S,5S)-5-acetyloxy-3-benzoyloxy-2-phenylmethoxyoxan-4-yl]oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6S)-6-[(2S,3R,4S,5S)-5-acetoxy-2-benzoxy-3-benzoyloxy-tetrahydropyran-4-yl]oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C55H48O16 MolecularWeight: 964.96002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OCC8=CC=CC=C8

Isomeric SMILES

CC(=O)O[C@H]1CO[C@@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OCC8=CC=CC=C8

InChI

InChI=1S/C55H48O16/c1-35(56)65-42-34-64-54(63-32-36-20-8-2-9-21-36)47(69-52(60)40-28-16-6-17-29-40)45(42)71-55-48(70-53(61)41-30-18-7-19-31-41)46(68-51(59)39-26-14-5-15-27-39)44(67-50(58)38-24-12-4-13-25-38)43(66-55)33-62-49(57)37-22-10-3-11-23-37/h2-31,42-48,54-55H,32-34H2,1H3/t42-,43+,44+,45-,46-,47+,48+,54-,55-/m0/s1