basic_info |
|
| Product_Name: | 雷公藤定碱 |
| CAS: | 37239-51-3 |
| 中文同义词: | 雷公藤定碱 |
| EnglishSynonyms: | WILFORDINE |
| pro_mdlNumber: | MFCD20133904 |
| pro_acceptors: | 20 |
| pro_donors: | 2 |
| pro_smile: | C[C@@H]1c2c(cccn2)C(=O)OC[C@]3([C@@H]4[C@H]([C@H]([C@@]5([C@H]([C@H]([C@@H]([C@]([C@]5([C@H]4OC(=O)C)O3)(C)O)OC(=O)C1(C)O)OC(=O)c6ccccc6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C |
| InChi: | InChI=1S/C43H49NO19/c1-20-29-27(16-13-17-44-29)37(51)56-18-39(7)28-30(57-22(3)46)34(59-24(5)48)42(19-55-21(2)45)35(60-25(6)49)31(61-36(50)26-14-11-10-12-15-26)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(28)58-23(4)47/h10-17,20,28,30-35,53-54H,18-19H2,1-9H3/t20-,28-,30-,31+,32+,33+,34-,35+,39+,40?,41+,42-,43+/m1/s1 |
| InChiKey: | InChIKey=IQUAVJOINYOCMR-CYMDBJHZSA-N |
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