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Substance Name: Avermectin A1a, 5-O-demethyl-, (8Z)-
RN: 113665-89-7
InChIKey: RRZXIRBKKLTSOM-NJRQVPCTSA-N

Molecular Weight

  • 873.083
 
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Names and Synonyms

Synonym

  • 8,9-Z-Abamectin B1a

Systematic Name

  • Avermectin A1a, 5-O-demethyl-, (8Z)-

Registry Numbers

CAS Registry Number

  • 113665-89-7

System Generated Number

  • 0113665897

Structure Descriptors

InChI

1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25?,26-,28-,30?,31?,33+,34-,35?,36?,37?,38?,39?,40+,41?,42?,43+,44?,45+,47+,48+/m0/s1

InChIKey

RRZXIRBKKLTSOM-NJRQVPCTSA-N

Smiles

O([C@@H]1[C@@H]([C@@H](C)O[C@@H](C1)O[C@@H]1[C@@H](O[C@@H](O[C@@H]2[C@H](C=CC=C3[C@@]4([C@H](OC3)[C@@H](C(=C[C@@H]4C(O[C@H]3C[C@H](O[C@]4(C=C[C@H](C)[C@H]([C@@H](CC)C)O4)C3)CC=C2C)=O)C)O)O)C)C[C@@H]1OC)C)O)C