[(2R,3R,4S,5R)-4-[(2S,3R,4S,5S,6S)-3-acetyloxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-5-(phenylcarbonyloxymethyl)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R)-4-[(2S,3R,4S,5S,6S)-3-acetyloxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-5-(phenylcarbonyloxymethyl)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R)-4-[(2S,3R,4S,5S,6S)-3-acetoxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-(benzoyloxymethyl)-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R)-4-[[(2S,3R,4S,5S,6S)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5-(benzoyloxymethyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R)-4-[(2S,3R,4S,5S,6S)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(benzoyloxymethyl)-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R)-4-[(2S,3R,4S,5S,6S)-3-acetoxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-(benzoyloxymethyl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C28H32O13 MolecularWeight: 576.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1OC2C(OC(C2O)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)CO)O)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O[C@@H]2[C@H](O[C@@H]([C@H]2O)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)CO)O)O

InChI

InChI=1S/C28H32O13/c1-15(30)38-25-23(33)21(31)18(12-29)40-28(25)41-24-20(14-37-27(35)17-10-6-3-7-11-17)39-19(22(24)32)13-36-26(34)16-8-4-2-5-9-16/h2-11,18-25,28-29,31-33H,12-14H2,1H3/t18-,19+,20+,21+,22+,23-,24+,25+,28-/m0/s1