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Substance Name: Avermectin A1a, 5-O-demethyl-26-hydroxy-
RN: 86629-72-3
InChIKey: JHPQMIYGLDWIFR-DJWQYEELSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C48-H72-O15

Molecular Weight

  • 889.0818
 
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Names and Synonyms

Synonyms

  • 4a-Hydroxyavermectin B1
  • 5-O-Demethyl-26-hydroxyavermectin A1a
  • BRN 5473169

Systematic Name

  • Avermectin A1a, 5-O-demethyl-26-hydroxy-

Registry Numbers

CAS Registry Number

  • 86629-72-3

System Generated Number

  • 0086629723

Structure Descriptors

InChI

1S/C48H72O15/c1-10-25(2)43-28(5)16-17-47(63-43)22-34-19-33(62-47)15-14-27(4)42(60-39-21-37(55-9)44(30(7)58-39)61-38-20-36(54-8)40(50)29(6)57-38)26(3)12-11-13-32-24-56-45-41(51)31(23-49)18-35(46(52)59-34)48(32,45)53/h11-14,16-18,25-26,28-30,33-45,49-51,53H,10,15,19-24H2,1-9H3/b12-11+,27-14+,32-13+/t25-,26-,28-,29-,30-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47+,48+/m0/s1

InChIKey

JHPQMIYGLDWIFR-DJWQYEELSA-N

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)CO)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)O)OC)OC)\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 205mg/kg (205mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 42, Pg. 1786, 1994.