[3-[(4S,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-oxidanyl-oxan-2-yl]oxy-4-ethanoyl-5-oxidanyl-phenyl] benzoate

Systemtic Name: [3-[(4S,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-oxidanyl-oxan-2-yl]oxy-4-ethanoyl-5-oxidanyl-phenyl] benzoate Openeye Name: [4-acetyl-3-[(4S,5R)-4,5-diacetoxy-6-(acetoxymethyl)-3-hydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-phenyl] benzoate CAS Name: benzoic acid [4-acetyl-3-[[(4S,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-hydroxy-2-oxanyl]oxy]-5-hydroxyphenyl] ester IUPAC Name: [4-acetyl-3-[(4S,5R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-hydroxyoxan-2-yl]oxy-5-hydroxyphenyl] benzoate Traditional Name: benzoic acid [4-acetyl-3-[(4S,5R)-4,5-diacetoxy-6-(acetoxymethyl)-3-hydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-phenyl] ester Formula: C27H28O13 MolecularWeight: 560.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)O)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1OC2C([C@@H]([C@@H](C(O2)COC(=O)C)OC(=O)C)OC(=O)C)O)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C27H28O13/c1-13(28)22-19(32)10-18(38-26(34)17-8-6-5-7-9-17)11-20(22)39-27-23(33)25(37-16(4)31)24(36-15(3)30)21(40-27)12-35-14(2)29/h5-11,21,23-25,27,32-33H,12H2,1-4H3/t21?,23?,24-,25+,27?/m1/s1