[(2R,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-azido-4-oxidanyl-oxan-2-yl]oxy-2-(6-methoxy-6-oxidanylidene-hexoxy)-6-methyl-5-octadecanoyloxy-oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-azido-4-oxidanyl-oxan-2-yl]oxy-2-(6-methoxy-6-oxidanylidene-hexoxy)-6-methyl-5-octadecanoyloxy-oxan-3-yl] benzoate Openeye Name: [(2R,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-5-acetoxy-6-(acetoxymethyl)-3-azido-4-hydroxy-tetrahydropyran-2-yl]oxy-2-(6-methoxy-6-oxo-hexoxy)-6-methyl-5-octadecanoyloxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5S,6S)-4-[[(2R,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-azido-4-hydroxy-2-oxanyl]oxy]-2-(6-methoxy-6-oxohexoxy)-6-methyl-5-(1-oxooctadecoxy)-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-azido-4-hydroxyoxan-2-yl]oxy-2-(6-methoxy-6-oxohexoxy)-6-methyl-5-octadecanoyloxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-5-acetoxy-6-(acetoxymethyl)-3-azido-4-hydroxy-tetrahydropyran-2-yl]oxy-2-(6-keto-6-methoxy-hexoxy)-6-methyl-5-stearoyloxy-tetrahydropyran-3-yl] ester Formula: C48H75N3O15 MolecularWeight: 934.1202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1C(OC(C(C1OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)O)N=[N+]=[N-])OC(=O)C3=CC=CC=C3)OCCCCCC(=O)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H]([C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)O)N=[N+]=[N-])OC(=O)C3=CC=CC=C3)OCCCCCC(=O)OC)C

InChI

InChI=1S/C48H75N3O15/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-39(55)64-42-33(2)61-48(59-31-26-21-25-29-38(54)58-5)45(65-46(57)36-27-22-20-23-28-36)44(42)66-47-40(50-51-49)41(56)43(62-35(4)53)37(63-47)32-60-34(3)52/h20,22-23,27-28,33,37,40-45,47-48,56H,6-19,21,24-26,29-32H2,1-5H3/t33-,37+,40+,41+,42-,43+,44+,45+,47+,48+/m0/s1