basic_info |
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Product_Name: | SAMBUTOXIN |
CAS: | 160047-56-3 |
EnglishSynonyms: | SAMBUTOXIN |
pro_mdlNumber: | MFCD20274930 |
pro_acceptors: | 5 |
pro_donors: | 2 |
pro_smile: | CC[C@H](C)C[C@@H](C)/C=C(\C)/[C@H]1[C@@H](CC[C@H](O1)c2c(c(cn(c2=O)C)c3ccc(cc3)O)O)C |
InChi: | InChI=1S/C28H39NO4/c1-7-17(2)14-18(3)15-20(5)27-19(4)8-13-24(33-27)25-26(31)23(16-29(6)28(25)32)21-9-11-22(30)12-10-21/h9-12,15-19,24,27,30-31H,7-8,13-14H2,1-6H3/b20-15+/t17-,18+,19+,24-,27+/m0/s1 |
InChiKey: | InChIKey=FVYDVAOTXPELMH-SPRAOHHPSA-N |
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