basic_info |
|
| Product_Name: | 多司马酯 |
| CAS: | 122312-55-4 |
| 中文同义词: | 多司马酯 |
| EnglishSynonyms: | DOSMALFATE |
| pro_mdlNumber: | MFCD00868355 |
| pro_acceptors: | 79 |
| pro_donors: | 37 |
| pro_smile: | C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(c(=O)cc(o4)c5ccc(c(c5)OS(=O)(=O)O[Al-]6([OH+][Al-]([OH+]6)(O)O)O)OC)c(c3)OS(=O)(=O)O[Al-]7([OH+][Al-]([OH+]7)(O)O)O)OS(=O)(=O)O[Al-]8([OH+][Al-]([OH+]8)(O)O)O)OS(=O)(=O)O[Al-]9([OH+][Al-]([OH+]9)(O)O)O)OS(=O)(=O)O[Al]1([OH+][Al-](O1)(O)O)O)OS(=O)(=O)O[Al]1([OH+][Al-](O1)(O)O)O)OS(=O)(=O)O[Al]1([OH+][Al-](O1)(O)O)O)OS(=O)(=O)O[Al-]1([OH+][Al-]([OH+]1)(O)O)O |
| InChi: | InChI=1S/C28H32O39S8.16Al.24H2O.13HO.3O/c1-10-21(62-70(36,37)38)23(64-72(42,43)44)25(66-74(48,49)50)27(56-10)55-9-19-22(63-71(39,40)41)24(65-73(45,46)47)26(67-75(51,52)53)28(59-19)57-12-6-17-20(18(7-12)61-69(33,34)35)13(29)8-15(58-17)11-3-4-14(54-2)16(5-11)60-68(30,31)32;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-8,10,19,21-28H,9H2,1-2H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;;;;;;;;;;;;;24*1H2;13*1H;;;/q;13*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;13*+1;;;/p-32/t10-,19+,21-,22+,23+,24-,25+,26+,27?,28+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0......................................................../s1 |
| InChiKey: | InChIKey=PVVSBYKNFRRMPR-FVPWYRRQSA-A |
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