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Substance Name: Emamectin B1B benzoate
RN: 138511-98-5
UNII: NDS0BR52RS
InChIKey: ISGYOHXFFCGHKT-WVYDVIEQSA-N

Molecular Weight

  • 994.2211
 
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Names and Synonyms

Name of Substance

  • Emamectin B1B benzoate

Synonym

  • UNII-NDS0BR52RS

Registry Numbers

CAS Registry Number

  • 138511-98-5

FDA UNII

  • NDS0BR52RS

System Generated Number

  • 0138511985

Structure Descriptors

InChI

InChI=1S/C48H73NO13.C7H6O2/c1-25(2)42-28(5)17-18-47(62-42)23-34-20-33(61-47)16-15-27(4)43(26(3)13-12-14-32-24-55-45-41(50)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-11)44(31(8)57-39)60-38-21-36(53-10)40(49-9)30(7)56-38;8-7(9)6-4-2-1-3-5-6/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,16,20-24H2,1-11H3;1-5H,(H,8,9)/b13-12+,27-15+,32-14+;/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41+,42+,43-,44-,45+,47+,48+;/m0./s1

InChIKey

ISGYOHXFFCGHKT-WVYDVIEQSA-N

Smiles

CN[C@@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C\3/C)O[C@@]7(C6)O[C@H](C(C)C)[C@@H](C)C=C7)[C@]45O)C.OC(=O)c8ccccc8