1.0 2016-05-22 05:24:41 UTC 2026-05-14 19:09:51 UTC Selamectin SmallMolecule Selamectin belongs to the milbemycins, a subclass of macrolides and analogues within the organic compounds. It is classified under the superclass of phenylpropanoids and polyketides and has the chemical formula C43H63NO11. With an average molecular weight of 769.97 g/mol, Selamectin is a heavy molecule. C43H63NO11 769.973 769.440111853 (1'R,2R,4'S,5S,6S,8'R,10'E,12'S,13'S,14'E,20'R,21'Z,24'S)-6-cyclohexyl-24'-hydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one (1'R,2R,4'S,5S,6S,8'R,10'E,12'S,13'S,14'E,20'R,21'Z,24'S)-6-cyclohexyl-24'-hydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one 165108-07-6 [H]\C1=C(C)/[C@@]([H])(O[C@@]2([H])C[C@]([H])(OC)[C@@]([H])(O)[C@]([H])(C)O2)[C@@]([H])(C)\C([H])=C(/[H])\C(\[H])=C2/CO[C@]3([H])\C(=N/O)C(C)=C[C@@]([H])(C(=O)O[C@@]4([H])C[C@@]([H])(C1)O[C@@]1(CC[C@]([H])(C)[C@]([H])(O1)C1CCCCC1)C4)[C@]23O InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36-/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1 AFJYYKSVHJGXSN-XHKIUTQPSA-N Organic compounds Phenylpropanoids and polyketides Macrolides and analogues Milbemycins Milbemycins Carbonyl compounds Carboxylic acid esters Dialkyl ethers Hydrocarbon derivatives Ketals Ketoximes Lactones Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Glycosyl compound Hydrocarbon derivative Ketal Ketoxime Lactone Milbemycin Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Oxime Secondary alcohol Tertiary alcohol Tetrahydrofuran Aliphatic heteropolycyclic compounds Detected and Not Quantified logp 6.21 logp 5.09 ALOGPS logs -5.26 ALOGPS solubility 4.25e-03 g/l ALOGPS logp 6.21 ChemAxon pka_strongest_acidic 9.58 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (1'R,2R,4'S,5S,6S,8'R,10'E,12'S,13'S,14'E,20'R,21'Z,24'S)-6-cyclohexyl-24'-hydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one ChemAxon average_mass 769.973 ChemAxon mono_mass 769.440111853 ChemAxon smiles [H]\C1=C(C)/[C@@]([H])(O[C@@]2([H])C[C@]([H])(OC)[C@@]([H])(O)[C@]([H])(C)O2)[C@@]([H])(C)\C([H])=C(/[H])\C(\[H])=C2/CO[C@]3([H])\C(=N/O)C(C)=C[C@@]([H])(C(=O)O[C@@]4([H])C[C@@]([H])(C1)O[C@@]1(CC[C@]([H])(C)[C@]([H])(O1)C1CCCCC1)C4)[C@]23O ChemAxon formula C43H63NO11 ChemAxon inchi InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36-/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1 ChemAxon inchikey AFJYYKSVHJGXSN-XHKIUTQPSA-N ChemAxon polar_surface_area 154.73 ChemAxon refractivity 206.75 ChemAxon polarizability 85.75 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bcfdbcd08> DB11459 9578507 16738655