basic_info |
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Product_Name: | 6-FERULOYLCATALPOL |
CAS: | 64461-95-6 ;770721-33-0 |
EnglishSynonyms: | (1AR,1BS,2S,5AR,6S,6AS)-6-HYDROXY-1A-(HYDROXYMETHYL)-1A,1B,2,5A,6,6A-HEXAHYDROOXIRENO[4,5]CYCLOPENTA[1,2-C]PYRAN-2-YL 6-O-[(2E)-3-(4 ; PICROSIDE ; 6-FERULOYLCATALPOL ; PICROSIDE III |
pro_mdlNumber: | MFCD10566631 |
pro_acceptors: | 13 |
pro_donors: | 6 |
pro_smile: | COc1cc(ccc1O)/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
InChi: | InChI=1S/C25H30O13/c1-33-14-8-11(2-4-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1 |
InChiKey: | InChIKey=RMSKZOXJAHOIER-GGKKSNITSA-N |
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