basic_info |
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Product_Name: | DEACETYL ASPERULOSIDIC ACID METHYL ESTER |
CAS: | 52613-28-2 |
EnglishSynonyms: | DEACETYL ASPERULOSIDIC ACID METHYL ESTER |
pro_mdlNumber: | MFCD21364063 |
pro_acceptors: | 11 |
pro_donors: | 6 |
pro_smile: | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
InChi: | InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1 |
InChiKey: | InChIKey=WSGPLSDARZNMCW-FCVLBCLDSA-N |
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