[(2S,3S,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-2-bromanyl-4-(phenylcarbonyloxy)oxan-3-yl]oxy-2-methyl-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(2S,3S,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-2-bromanyl-4-(phenylcarbonyloxy)oxan-3-yl]oxy-2-methyl-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(2S,3S,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-5-acetoxy-6-(acetoxymethyl)-4-benzoyloxy-2-bromo-tetrahydropyran-3-yl]oxy-4,5-dibenzoyloxy-2-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,5R,6S)-6-[[(2R,3R,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-benzoyloxy-2-bromo-3-oxanyl]oxy]-4,5-dibenzoyloxy-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-benzoyloxy-2-bromooxan-3-yl]oxy-4,5-dibenzoyloxy-2-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-5-acetoxy-6-(acetoxymethyl)-4-benzoyloxy-2-bromo-tetrahydropyran-3-yl]oxy-4,5-dibenzoyloxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C44H41BrO15 MolecularWeight: 889.69134

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2Br)COC(=O)C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2Br)COC(=O)C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C44H41BrO15/c1-25-33(56-40(48)28-16-8-4-9-17-28)35(57-41(49)29-18-10-5-11-19-29)38(59-43(51)31-22-14-7-15-23-31)44(53-25)60-37-36(58-42(50)30-20-12-6-13-21-30)34(54-27(3)47)32(55-39(37)45)24-52-26(2)46/h4-23,25,32-39,44H,24H2,1-3H3/t25-,32+,33-,34+,35+,36-,37+,38+,39-,44-/m0/s1