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Substance Name: Avermectin A1a, 5-O-demethyl-26-hydroxy-4''-O-((2-methoxyethoxy)methyl)-
RN: 148865-08-1
InChIKey: NNPPNOXHGOUBFW-NMCMTHAVSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C52-H80-O17

Molecular Weight

  • 977.187
 
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Names and Synonyms

Synonym

  • 5-O-Demethyl-26-hydroxy-4''-O-((2-methoxyethoxy)methyl)avermectin A1a

Systematic Name

  • Avermectin A1a, 5-O-demethyl-26-hydroxy-4''-O-((2-methoxyethoxy)methyl)-

Registry Numbers

CAS Registry Number

  • 148865-08-1

System Generated Number

  • 0148865081

Structure Descriptors

InChI

1S/C52H80O17/c1-11-29(2)46-32(5)17-18-51(69-46)25-38-22-37(68-51)16-15-31(4)45(30(3)13-12-14-36-27-61-49-44(54)35(26-53)21-39(50(55)65-38)52(36,49)56)66-42-24-41(59-10)48(34(7)64-42)67-43-23-40(58-9)47(33(6)63-43)62-28-60-20-19-57-8/h12-15,17-18,21,29-30,32-34,37-49,53-54,56H,11,16,19-20,22-28H2,1-10H3/b13-12+,31-15+,36-14+

InChIKey

NNPPNOXHGOUBFW-NMCMTHAVSA-N

Smiles

CCC(C)C1C(C=CC2(O1)CC3CC(O2)C/C=C(/C(C(/C=C/C=C/4\COC5C4(C(C=C(C5O)CO)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OCOCCOC)OC)OC)\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 100mg/kg (100mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 42, Pg. 1786, 1994.