basic_info |
|
| Product_Name: | 5-O-DEMETHYL-26-HYDROXY-4''-O-((2-METHOXYETHOXY)METHYL)AVERMECTIN A1A |
| CAS: | 148865-08-1 |
| EnglishSynonyms: | 5-O-DEMETHYL-26-HYDROXY-4''-O-((2-METHOXYETHOXY)METHYL)AVERMECTIN A1A |
| pro_mdlNumber: | MFCD01757271 |
| pro_acceptors: | 17 |
| pro_donors: | 3 |
| pro_smile: | CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)CO)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)OCOCCOC)OC)OC)\C)C |
| InChi: | InChI=1S/C52H80O17/c1-11-29(2)46-32(5)17-18-51(69-46)25-38-22-37(68-51)16-15-31(4)45(30(3)13-12-14-36-27-61-49-44(54)35(26-53)21-39(50(55)65-38)52(36,49)56)66-42-24-41(59-10)48(34(7)64-42)67-43-23-40(58-9)47(33(6)63-43)62-28-60-20-19-57-8/h12-15,17-18,21,29-30,32-34,37-49,53-54,56H,11,16,19-20,22-28H2,1-10H3/b13-12+,31-15+,36-14+/t29-,30-,32-,33-,34-,37+,38-,39-,40-,41-,42-,43-,44+,45-,46+,47-,48-,49+,51+,52+/m0/s1 |
| InChiKey: | InChIKey=NNPPNOXHGOUBFW-MGYDHRLNSA-N |
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