Avermectin A1a
Grundinformationen
- CAS
65195-51-9- Standard-SMILES
CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2- InChIKey
AFSHKCWTGFDXJR-SQOHEDJBSA-N- Summenformel
- C49H74O14
- Durchschnittliche Molmasse
- 887,1 g/mol
- Monoisotopische Masse
- 886,50785703
Überblick
avermectin A1a has been reported in Streptomyces avermitilis with data available.
Namen und Bezeichner
- Bevorzugter Name
- Avermectin A1a
- IUPAC
- (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]-24'-hydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-21'-methoxy-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
Namen und Synonyme
Avermectin A1aYRI17ZJ0WTANTIBIOTIC C-076A1AAntibiotic C 076A(sub 1a)65195-51-9DTXSID8058613L-676891RefChem:53351Antibiotic C 076A1aUNII-YRI17ZJ0WTSCHEMBL1681255C49H74O14
Weitere Namen anzeigen
NS00076439
Datenbank-Bezeichner
- CAS
65195-51-9- PubChem CID
- 9832706
- DTXSID
DTXSID8058613- UNII
- YRI17ZJ0WT
- Nikkaji
- J91.849K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 159 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 63
- Formalladung
- 0
- Komplexität
- 1.740
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
Substances that are destructive to protozoans.
Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
Drugs that bind to and activate excitatory amino acid receptors.
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