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| Product_Name: | BREVISCAPINE |
| CAS: | 116122-36-2 |
| EnglishSynonyms: | BREVISCAPINE ; BREVISCAPINUN ; BREVISCAPIN |
| pro_mdlNumber: | MFCD01741878 |
| pro_acceptors: | 12 |
| pro_donors: | 7 |
| pro_smile: | c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)C(=O)O)O)O)O)O)O.c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O |
| InChi: | InChI=1S/C21H18O12.C21H18O11/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30;22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,16-19,21-22,24-28H,(H,29,30);1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+;16-,17-,18+,19?,21+/m00/s1 |
| InChiKey: | InChIKey=BYTLLPAZARDJBB-FZGGHYJTSA-N |
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