basic_info |
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| Product_Name: | BRUSATOL |
| CAS: | 14907-98-3 |
| EnglishSynonyms: | BRUSATOL ; YATANSIN |
| pro_mdlNumber: | MFCD01746220 |
| pro_acceptors: | 11 |
| pro_donors: | 3 |
| pro_smile: | CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O |
| InChi: | InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26+/m0/s1 |
| InChiKey: | InChIKey=ZZZYHIMVKOHVIH-MWFXHRFLSA-N |
property |
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secure_info |
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