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Substance Name: Emamectin B1A benzoate
RN: 138511-97-4
UNII: 540MVT736Z
InChIKey: GCKZANITAMOIAR-PEZUHFCHSA-N

Molecular Weight

  • 1008.2479
 
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Names and Synonyms

Name of Substance

  • Emamectin B1A benzoate

Synonym

  • UNII-540MVT736Z

Registry Numbers

CAS Registry Number

  • 138511-97-4

FDA UNII

  • 540MVT736Z

System Generated Number

  • 0138511974

Structure Descriptors

InChI

InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,48+,49+;/m0./s1

InChIKey

GCKZANITAMOIAR-PEZUHFCHSA-N

Smiles

CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C.OC(=O)c8ccccc8