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Substance Name: Avermectin A1a
RN: 65195-51-9
UNII: YRI17ZJ0WT
InChIKey: AFSHKCWTGFDXJR-XRAZFEMNSA-N

Molecular Formula

  • C49-H74-O14

Molecular Weight

  • 887.1096
 
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Names and Synonyms

Name of Substance

  • Avermectin A1a

Synonyms

  • Antibiotic C 076A(sub 1a)
  • Antibiotic C 076A1a
  • UNII-YRI17ZJ0WT

Systematic Name

  • Avermectin A1a

Registry Numbers

CAS Registry Number

  • 65195-51-9

FDA UNII

  • YRI17ZJ0WT

System Generated Number

  • 0065195519

Structure Descriptors

InChI

1S/C49H74O14/c1-12-26(2)43-29(5)18-19-48(63-43)24-35-21-34(62-48)17-16-28(4)42(60-40-23-38(54-10)45(32(8)58-40)61-39-22-37(53-9)41(50)31(7)57-39)27(3)14-13-15-33-25-56-46-44(55-11)30(6)20-36(47(51)59-35)49(33,46)52/h13-16,18-20,26-27,29,31-32,34-46,50,52H,12,17,21-25H2,1-11H3/t26?,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,48+,49+/m0/s1

InChIKey

AFSHKCWTGFDXJR-XRAZFEMNSA-N

Smiles

O1[C@@H](C[C@@H]([C@H]([C@@H]1C)O)OC)O[C@@H]1[C@H](C[C@@H](O[C@H]1C)O[C@@H]1C(=CC[C@H]2O[C@@]3(C=C[C@@H]([C@H](O3)[C@H](CC)C)C)C[C@H](C2)OC(=O)[C@H]2[C@@]3(C(=CC=C[C@@H]1C)CO[C@@H]3[C@@H](C(=C2)C)OC)O)C)OC