(2R,3R,4S,5S,6R)-2-[[(4R,5S,6S,7R,9R,10E,11E,16R)-7-(2,2-dimethoxyethyl)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-16-ethyl-10-hydroxyimino-5,9,13-trimethyl-4,13,14-tris(oxidanyl)-2-oxidanylidene-1-oxacyclohexadec-11-en-6-yl]oxy]-N,N,6-trimethyl-3,5-bis(oxidanyl)oxan-4-amine oxide

Systemtic Name: (2R,3R,4S,5S,6R)-2-[[(4R,5S,6S,7R,9R,10E,11E,16R)-7-(2,2-dimethoxyethyl)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-16-ethyl-10-hydroxyimino-5,9,13-trimethyl-4,13,14-tris(oxidanyl)-2-oxidanylidene-1-oxacyclohexadec-11-en-6-yl]oxy]-N,N,6-trimethyl-3,5-bis(oxidanyl)oxan-4-amine oxide Openeye Name: (2R,3R,4S,5S,6R)-2-[[(4R,5S,6S,7R,9R,10E,11E,16R)-7-(2,2-dimethoxyethyl)-16-ethyl-4,13,14-trihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-10-hydroxyimino-5,9,13-trimethyl-2-oxo-1-oxacyclohexadec-11-en-6-yl]oxy]-3,5-dihydroxy-N,N,6-trimethyl-tetrahydropyran-4-amine oxide CAS Name: (2R,3R,4S,5S,6R)-2-[[(4R,5S,6S,7R,9R,10E,11E,16R)-7-(2,2-dimethoxyethyl)-16-ethyl-4,13,14-trihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-10-hydroxyimino-5,9,13-trimethyl-2-oxo-1-oxacyclohexadec-11-en-6-yl]oxy]-3,5-dihydroxy-N,N,6-trimethyl-4-oxanamine oxide IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(4R,5S,6S,7R,9R,10E,11E,16R)-7-(2,2-dimethoxyethyl)-16-ethyl-4,13,14-trihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-10-hydroxyimino-5,9,13-trimethyl-2-oxo-1-oxacyclohexadec-11-en-6-yl]oxy]-3,5-dihydroxy-N,N,6-trimethyloxan-4-amine oxide Traditional Name: (2R,3R,4S,5S,6R)-2-[[(4R,5S,6S,7R,9R,10E,11E,16R)-7-(2,2-dimethoxyethyl)-16-ethyl-10-hydroximino-4,13,14-trihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-2-keto-5,9,13-trimethyl-1-oxacyclohexadec-11-en-6-yl]oxy]-3,5-dihydroxy-N,N,6-trimethyl-tetrahydropyran-4-amine oxide Formula: C41H74N2O18 MolecularWeight: 883.02886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C=CC(=NO)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)[N+](C)(C)[O-])O)CC(OC)OC)C)(C)O)O)COC3C(C(C(C(O3)C)O)OC)OC

Isomeric SMILES

CC[C@@H]1C(C(C(/C=C/C(=N/O)/[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)[N+](C)(C)[O-])O)CC(OC)OC)C)(C)O)O)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC

InChI

InChI=1S/C41H74N2O18/c1-13-28-25(19-57-40-37(56-12)36(55-11)33(47)23(5)59-40)38(49)41(6,50)15-14-26(42-51)20(2)16-24(17-30(53-9)54-10)35(21(3)27(44)18-29(45)60-28)61-39-34(48)31(43(7,8)52)32(46)22(4)58-39/h14-15,20-25,27-28,30-40,44,46-51H,13,16-19H2,1-12H3/b15-14+,42-26-/t20-,21+,22-,23-,24-,25?,27-,28-,31+,32-,33-,34-,35-,36-,37-,38?,39+,40-,41?/m1/s1