5-acetyloxy-6-[2-(acetyloxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-3-yl]oxy-3-oxidanyl-4-phenylmethoxy-oxane-2-carboxylic acid

Systemtic Name: 5-acetyloxy-6-[2-(acetyloxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-3-yl]oxy-3-oxidanyl-4-phenylmethoxy-oxane-2-carboxylic acid Openeye Name: 5-acetoxy-6-[2-(acetoxymethyl)-4-benzyloxy-5-(benzyloxycarbonylamino)-6-methoxy-tetrahydropyran-3-yl]oxy-4-benzyloxy-3-hydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 5-acetyloxy-6-[[2-(acetyloxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)-3-oxanyl]oxy]-3-hydroxy-4-phenylmethoxy-2-oxanecarboxylic acid IUPAC Name: 5-acetyloxy-6-[2-(acetyloxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-3-yl]oxy-3-hydroxy-4-phenylmethoxyoxane-2-carboxylic acid Traditional Name: 5-acetoxy-6-[2-(acetoxymethyl)-4-benzoxy-5-(benzyloxycarbonylamino)-6-methoxy-tetrahydropyran-3-yl]oxy-4-benzoxy-3-hydroxy-tetrahydropyran-2-carboxylic acid Formula: C39H45NO15 MolecularWeight: 767.7723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)O)O)OCC5=CC=CC=C5)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)O)O)OCC5=CC=CC=C5)OC(=O)C

InChI

InChI=1S/C39H45NO15/c1-23(41)48-22-28-31(54-38-35(52-24(2)42)33(30(43)34(55-38)36(44)45)50-20-26-15-9-5-10-16-26)32(49-19-25-13-7-4-8-14-25)29(37(47-3)53-28)40-39(46)51-21-27-17-11-6-12-18-27/h4-18,28-35,37-38,43H,19-22H2,1-3H3,(H,40,46)(H,44,45)