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

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-5-acetyloxy-6-(hydroxymethyl)-2-prop-2-enoxy-4-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-oxan-3-yl]oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-5-acetoxy-2-allyloxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6S)-6-[[(2S,3R,4S,5R,6R)-5-acetyloxy-6-(hydroxymethyl)-2-prop-2-enoxy-4-[[(2S,3R,4S,5R)-3,4,5-triacetyloxy-2-oxanyl]oxy]-3-oxanyl]oxy]-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-5-acetyloxy-6-(hydroxymethyl)-2-prop-2-enoxy-4-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-5-acetoxy-2-allyloxy-6-methylol-4-[(2S,3R,4S,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C56H58O23 MolecularWeight: 1099.04592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC2C(C(OC(C2OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OCC=C)CO)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OCC=C)CO)OC(=O)C

InChI

InChI=1S/C56H58O23/c1-6-27-66-54-48(46(42(70-32(3)59)39(28-57)73-54)78-55-47(72-34(5)61)44(71-33(4)60)40(30-68-55)69-31(2)58)79-56-49(77-53(65)38-25-17-10-18-26-38)45(76-52(64)37-23-15-9-16-24-37)43(75-51(63)36-21-13-8-14-22-36)41(74-56)29-67-50(62)35-19-11-7-12-20-35/h6-26,39-49,54-57H,1,27-30H2,2-5H3/t39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,54+,55+,56+/m1/s1