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Substance Name: Avermectin A2a
RN: 65195-53-1
InChIKey: JVGWUGTWQIAGHJ-QSTCWCCJSA-N

Molecular Formula

  • C49-H76-O15

Molecular Weight

  • 905.1244
 
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Names and Synonyms

Results Name

  • Avermectin A2a

Synonyms

  • Antibiotic C 076A2a
  • Avermectin A2a
  • L 676893

Systematic Name

  • Avermectin A1a, 22,23-dihydro-23-hydroxy-, (23S)-

Registry Numbers

CAS Registry Number

  • 65195-53-1

System Generated Number

  • 0065195531

Structure Descriptors

InChI

1S/C49H76O15/c1-12-25(2)43-29(6)36(50)23-48(64-43)22-34-19-33(63-48)17-16-27(4)42(61-40-21-38(55-10)45(31(8)59-40)62-39-20-37(54-9)41(51)30(7)58-39)26(3)14-13-15-32-24-57-46-44(56-11)28(5)18-35(47(52)60-34)49(32,46)53/h13-16,18,25-26,29-31,33-46,50-51,53H,12,17,19-24H2,1-11H3/b14-13-,27-16-,32-15-/t25-,26-,29-,30-,31-,33+,34-,35-,36?,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,48-,49+/m0/s1

InChIKey

JVGWUGTWQIAGHJ-QSTCWCCJSA-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]5OC)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)O)OC)OC)/C)O)C