[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-4,12,13-tris(oxidanyl)-2-oxidanylidene-10-phenylmethoxyimino-1-oxacyclotetradec-6-yl]oxy]-6-methyl-3-phenylmethoxy-oxan-4-yl]-dimethyl-(phenylmethyl)azanium bromide

Systemtic Name: [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-4,12,13-tris(oxidanyl)-2-oxidanylidene-10-phenylmethoxyimino-1-oxacyclotetradec-6-yl]oxy]-6-methyl-3-phenylmethoxy-oxan-4-yl]-dimethyl-(phenylmethyl)azanium bromide Openeye Name: benzyl-[(2S,3R,4S,6R)-3-benzyloxy-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-10-benzyloxyimino-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-4-yl]-dimethyl-ammonium bromide CAS Name: [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylmethoxyimino-oxacyclotetradec-6-yl]oxy]-6-methyl-3-phenylmethoxy-4-oxanyl]-dimethyl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylmethoxyimino-oxacyclotetradec-6-yl]oxy]-6-methyl-3-phenylmethoxyoxan-4-yl]-dimethylazanium bromide Traditional Name: [(2S,3R,4S,6R)-3-benzoxy-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-10-benzyloximino-14-ethyl-4,12,13-trihydroxy-2-keto-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-4-yl]-benzyl-dimethyl-ammonium bromide Formula: C51H75BrN2O10 MolecularWeight: 956.0526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCC2=CC=CC=C2)C(CC(C(C(C(C(C(=O)O1)C)O)C)OC3C(C(CC(O3)C)[N+](C)(C)CC4=CC=CC=C4)OCC5=CC=CC=C5)(C)OC)C)C)O)(C)O.[Br-]

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OCC2=CC=CC=C2)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N+](C)(C)CC4=CC=CC=C4)OCC5=CC=CC=C5)(C)OC)C)C)O)(C)O.[Br-]

InChI

InChI=1S/C51H75N2O10.BrH/c1-12-42-51(8,57)46(55)35(4)43(52-60-32-40-26-20-15-21-27-40)33(2)29-50(7,58-11)47(36(5)44(54)37(6)48(56)62-42)63-49-45(59-31-39-24-18-14-19-25-39)41(28-34(3)61-49)53(9,10)30-38-22-16-13-17-23-38;/h13-27,33-37,41-42,44-47,49,54-55,57H,12,28-32H2,1-11H3;1H/q+1;/p-1/b52-43-;/t33-,34-,35+,36+,37-,41+,42-,44+,45-,46-,47-,49+,50-,51-;/m1./s1