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Substance Name: Avermectin A1a, 3'',5-di-O-demethyl-, (8Z)-
RN: 123237-30-9
InChIKey: NMYAMGXEEBGVHH-VOPGCZCJSA-N

Molecular Formula

  • C47-H70-O14

Molecular Weight

  • 859.056
 
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Names and Synonyms

Synonym

  • (8Z)-3'',5-di-O-demethylavermectin A1a

Systematic Name

  • Avermectin A1a, 3'',5-di-O-demethyl-, (8Z)-

Registry Numbers

CAS Registry Number

  • 123237-30-9

System Generated Number

  • 0123237309

Structure Descriptors

InChI

1S/C47H70O14/c1-10-24(2)42-27(5)16-17-46(61-42)22-33-19-32(60-46)15-14-26(4)41(58-38-21-36(53-9)43(30(8)56-38)59-37-20-35(48)40(50)29(7)55-37)25(3)12-11-13-31-23-54-44-39(49)28(6)18-34(45(51)57-33)47(31,44)52/h11-14,16-18,24-25,27,29-30,32-44,48-50,52H,10,15,19-23H2,1-9H3/b12-11+,26-14+,31-13+

InChIKey

NMYAMGXEEBGVHH-VOPGCZCJSA-N

Smiles

O([C@@H]1C[C@@H]([C@@H]([C@@H](C)O1)O)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(C3)C=C[C@@H]([C@@H](O4)[C@@H](C)CC)C)CC=C2C)=O)C)O)O)C)C[C@@H]1OC)C