[(2R,3S,4S,5R,6R)-4-acetyloxy-3-[(2S,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxan-2-yl]oxy-6-ethoxy-5-(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4S,5R,6R)-4-acetyloxy-3-[(2S,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxan-2-yl]oxy-6-ethoxy-5-(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S,5R,6R)-4-acetoxy-5-benzoyloxy-3-[(2S,3R,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-2-yl]oxy-6-ethoxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6R)-4-acetyloxy-5-benzoyloxy-3-[[(2S,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxo-2-isoindolyl)-2-oxanyl]oxy]-6-ethoxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-4-acetyloxy-5-benzoyloxy-3-[(2S,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-ethoxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6R)-4-acetoxy-5-benzoyloxy-3-[(2S,3R,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-phthalimido-tetrahydropyran-2-yl]oxy-6-ethoxy-tetrahydropyran-2-yl]methyl ester Formula: C44H45NO18 MolecularWeight: 875.824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)N4C(=O)C5=CC=CC=C5C4=O)OC(=O)C)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)N4C(=O)C5=CC=CC=C5C4=O)OC(=O)C)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C44H45NO18/c1-6-54-44-38(62-42(53)28-17-11-8-12-18-28)37(59-26(5)49)35(32(61-44)22-56-41(52)27-15-9-7-10-16-27)63-43-33(45-39(50)29-19-13-14-20-30(29)40(45)51)36(58-25(4)48)34(57-24(3)47)31(60-43)21-55-23(2)46/h7-20,31-38,43-44H,6,21-22H2,1-5H3/t31-,32-,33-,34-,35+,36-,37+,38-,43+,44-/m1/s1