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Substance Name: Avermectin B2a
RN: 65195-57-5
InChIKey: CWGATOJEFAKFBK-PDVFGPFMSA-N

Molecular Formula

  • C48-H74-O15

Molecular Weight

  • 891.098
 
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Names and Synonyms

Name of Substance

  • Avermectin B2a

Synonym

  • AI3-29543

Systematic Name

  • Avermectin A1a, 5-O-demethyl-22,23-dihydro-23-hydroxy-, (23S)-

Registry Numbers

CAS Registry Number

  • 65195-57-5

System Generated Number

  • 0065195575

Structure Descriptors

InChI

1S/C48H74O15/c1-11-24(2)43-28(6)35(49)22-47(63-43)21-33-18-32(62-47)16-15-26(4)42(25(3)13-12-14-31-23-56-45-40(50)27(5)17-34(46(52)59-33)48(31,45)53)60-39-20-37(55-10)44(30(8)58-39)61-38-19-36(54-9)41(51)29(7)57-38/h12-15,17,24-25,28-30,32-45,49-51,53H,11,16,18-23H2,1-10H3/b13-12+,26-15+,31-14+/t24-,25-,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47-,48+/m0/s1

InChIKey

CWGATOJEFAKFBK-PDVFGPFMSA-N

Smiles

C1[C@@]2(O[C@@H]([C@H]([C@H]1O)C)[C@@H](C)CC)C[C@H]1OC([C@H]3[C@@]4([C@@H]([C@@H](C(=C3)C)O)OCC4=CC=C[C@@H]([C@@H](C(=CC[C@@H](O2)C1)C)O[C@@H]1O[C@H]([C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@H](C2)OC)O)[C@H](OC)C1)C)C)O)=O