[(2S,3S,4S,5S,6S)-2-(fluoranylmethyl)-5-(phenylcarbonyloxy)-6-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-4-yl] benzoate

Systemtic Name: [(2S,3S,4S,5S,6S)-2-(fluoranylmethyl)-5-(phenylcarbonyloxy)-6-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-4-yl] benzoate Openeye Name: [(2S,3S,4S,5S,6S)-3-benzoyloxy-2-benzyloxy-6-(fluoromethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3S,4S,5S,6S)-5-benzoyloxy-2-(fluoromethyl)-6-phenylmethoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-4-oxanyl] ester IUPAC Name: [(2S,3S,4S,5S,6S)-5-benzoyloxy-2-(fluoromethyl)-6-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4S,5S,6S)-2-benzoxy-3-benzoyloxy-6-(fluoromethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] ester Formula: C41H43FO16 MolecularWeight: 810.768923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)CF)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)CF)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C41H43FO16/c1-23(43)49-22-31-33(51-24(2)44)34(52-25(3)45)37(53-26(4)46)41(55-31)58-32-30(20-42)54-40(50-21-27-14-8-5-9-15-27)36(57-39(48)29-18-12-7-13-19-29)35(32)56-38(47)28-16-10-6-11-17-28/h5-19,30-37,40-41H,20-22H2,1-4H3/t30-,31-,32-,33+,34+,35+,36+,37-,40+,41+/m1/s1