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Substance Name: Avermectin A1a, 5-O-demethyl-8,9-epoxy-8,9-dihydro-, (8R,9S)-
RN: 98734-60-2
InChIKey: BWDVGCWGWRHOJE-QYTCQFOHSA-N

Molecular Weight

  • 889.082
 
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Names and Synonyms

Synonym

  • Averectin B1a 8,9-oxide

Systematic Name

  • Avermectin A1a, 5-O-demethyl-8,9-epoxy-8,9-dihydro-, (8R,9S)-

Registry Numbers

CAS Registry Number

  • 98734-60-2

System Generated Number

  • 0098734602

Structure Descriptors

InChI

1S/C48H72O15/c1-11-24(2)42-27(5)16-17-46(63-42)22-32-19-31(61-46)14-12-25(3)41(59-38-21-35(54-10)43(30(8)57-38)60-37-20-34(53-9)40(50)29(7)56-37)26(4)13-15-36-47(62-36)23-55-44-39(49)28(6)18-33(45(51)58-32)48(44,47)52/h12-13,15-18,24,26-27,29-44,49-50,52H,11,14,19-23H2,1-10H3/b15-13+,25-12+/t24?,26-,27+,29?,30?,31+,32-,33?,34?,35?,36?,37?,38?,39+,40?,41?,42?,43?,44+,46-,47?,48+/m0/s1

InChIKey

BWDVGCWGWRHOJE-QYTCQFOHSA-N

Smiles

O1[C@@H]([C@@H](CC)C)[C@@H](C=C[C@]21C[C@@H]1C[C@H](CC=C(C)[C@@H]([C@@H](C)C=C[C@@H]3[C@@]4(O3)[C@]3(O)[C@@H]([C@@H](C(=C[C@@H]3C(O1)=O)C)O)OC4)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)OC)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)OC)O)C)C)O2)C