[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl] 3-fluoranylbenzoate

Systemtic Name: [(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl] 3-fluoranylbenzoate Openeye Name: [(2S,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [(2S,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl] ester Formula: C33H39FO19 MolecularWeight: 758.649763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC(=O)C2=CC(=CC=C2)F)OC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COC(=O)C)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)OC(=O)C2=CC(=CC=C2)F)OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C33H39FO19/c1-14(35)43-12-23-25(45-16(3)37)27(46-17(4)38)29(48-19(6)40)32(50-23)52-26-24(13-44-15(2)36)51-33(30(49-20(7)41)28(26)47-18(5)39)53-31(42)21-9-8-10-22(34)11-21/h8-11,23-30,32-33H,12-13H2,1-7H3/t23-,24-,25+,26-,27+,28+,29-,30-,32+,33+/m1/s1