basic_info |
|
| Product_Name: | ROCAGLAMIDE I |
| CAS: | 189322-68-7 |
| EnglishSynonyms: | ROCAGLAMIDE I |
| pro_mdlNumber: | MFCD14635414 |
| pro_acceptors: | 10 |
| pro_donors: | 2 |
| pro_smile: | CC(=O)O[C@@H]1[C@@H]([C@H]([C@]2([C@@]1(c3c(cc(cc3OC)OC)O2)O)c4ccc(c(c4)O)OC)c5ccccc5)C(=O)N(C)C |
| InChi: | InChI=1S/C31H33NO9/c1-17(33)40-28-25(29(35)32(2)3)26(18-10-8-7-9-11-18)31(19-12-13-22(38-5)21(34)14-19)30(28,36)27-23(39-6)15-20(37-4)16-24(27)41-31/h7-16,25-26,28,34,36H,1-6H3/t25-,26-,28-,30+,31+/m1/s1 |
| InChiKey: | InChIKey=MIDNNAQHKCLBSH-ZTLBFRGQSA-N |
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