Structure via PubChem · Public domain (PubChem)
Emamectin
Sign in to saveAlso known as 4''-Deoxy-4''-epi-methylaminoavermectin B1
chemische Verbindung
Chemical data
- Formula
- C49H75NO13
- Molecular weight
- 886.1 g/mol
- IUPAC name
- (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
- SMILES
- CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)NC)OC)OC)\C)C
- InChIKey
- CXEGAUYXQAKHKJ-FYOMLGFFSA-N
- XLogP
- 4.1
- Polar surface area
- 162 Ų
- H-bond donors
- 3
- H-bond acceptors
- 14
- Formal charge
- 0
via PubChem
Research
770 papers- Emamectin·chlorfenapyr-induced fatal leukoencephalomyelopathy with delayed hyperthermia: insecticide endanger public safety.Frontiers in neurology · 2024
- Combined exposure of emamectin benzoate and microplastics induces tight junction disorder, immune disorder and inflammation in carp midgut via lysosome/ROS/ferroptosis pathway.Water research · 2024
- Emamectin Poisoning in Thailand: Clinical Characteristics and Outcomes.Toxics · 2024
- Review of Emamectin Benzoate Poisoning.Journal of acute medicine · 2024
- Emamectin benzoate-induced toxicity affects intestinal epithelial integrity involving apoptosis.Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association · 2024
via PubMed
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 885.5238414600001
- Has use
- insecticide
Show 3 more facts
- isomeric SMILES
- C/C([C@](O[C@H]1C[C@H](OC)[C@](O[C@@H]2O[C@H](C)[C@@H](NC)[C@H](OC)C2)([H])[C@H](C)O1)([H])[C@@H](C)/C=C/C=C(CO3)/[C@@]([C@@]3([H])[C@H](O)C(C)=C4)(O)[C@@H]4C(O5)=O)=C\C[C@@H]6C[C@H]5C[C@]7(C=C[C@H](C)[C@]([C@@H](C)CC)([H])O7)O6
- chemical formula
- C₄₉H₇₅NO₁₃
- canonical SMILES
- CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(NC)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2
Sources (2)
via Wikidata · CC0