basic_info |
|
| Product_Name: | 4A-HYDROXYAVERMECTIN B1 |
| CAS: | 86629-72-3 |
| EnglishSynonyms: | 4A-HYDROXYAVERMECTIN B1 |
| pro_mdlNumber: | MFCD01757270 |
| pro_acceptors: | 15 |
| pro_donors: | 4 |
| 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)O)OC)OC)\C)C |
| InChi: | InChI=1S/C48H72O15/c1-10-25(2)43-28(5)16-17-47(63-43)22-34-19-33(62-47)15-14-27(4)42(60-39-21-37(55-9)44(30(7)58-39)61-38-20-36(54-8)40(50)29(6)57-38)26(3)12-11-13-32-24-56-45-41(51)31(23-49)18-35(46(52)59-34)48(32,45)53/h11-14,16-18,25-26,28-30,33-45,49-51,53H,10,15,19-24H2,1-9H3/b12-11+,27-14+,32-13+/t25-,26-,28-,29-,30-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47+,48+/m0/s1 |
| InChiKey: | InChIKey=JHPQMIYGLDWIFR-DJWQYEELSA-N |
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