[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-10-(3-phenoxypropoxyimino)-1-oxacyclotetradec-4-yl] benzoate

Systemtic Name: [(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-10-(3-phenoxypropoxyimino)-1-oxacyclotetradec-4-yl] benzoate Openeye Name: [(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-(3-phenoxypropoxyimino)-oxacyclotetradec-4-yl] benzoate CAS Name: benzoic acid [(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-(3-phenoxypropoxyimino)-oxacyclotetradec-4-yl] ester IUPAC Name: [(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-(3-phenoxypropoxyimino)-oxacyclotetradec-4-yl] benzoate Traditional Name: benzoic acid [(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-2-keto-3,5,7,9,11,13-hexamethyl-10-(3-phenoxypropyloximino)-oxacyclotetradec-4-yl] ester Formula: C45H68N2O12 MolecularWeight: 829.02762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCCCOC2=CC=CC=C2)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)C3=CC=CC=C3)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)O)(C)O

Isomeric SMILES

CC[C@H]1[C@@]([C@@H]([C@@H](/C(=N/OCCCOC2=CC=CC=C2)/[C@@H](CC([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)C3=CC=CC=C3)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)O)(C)O

InChI

InChI=1S/C45H68N2O12/c1-11-35-45(8,53)39(49)29(4)36(46-55-24-18-23-54-33-21-16-13-17-22-33)27(2)26-44(7,52)40(59-43-37(48)34(47(9)10)25-28(3)56-43)30(5)38(31(6)41(50)57-35)58-42(51)32-19-14-12-15-20-32/h12-17,19-22,27-31,34-35,37-40,43,48-49,52-53H,11,18,23-26H2,1-10H3/b46-36+/t27-,28-,29-,30+,31-,34+,35+,37-,38+,39-,40-,43+,44?,45-/m1/s1