basic_info |
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Product_Name: | 乙酰麦角甾苷 |
CAS: | 441769-43-3 |
中文同义词: | 乙酰麦角甾苷 |
EnglishSynonyms: | ACETYLACTEOSIDE, 6-O- ; 6-O-ACETYLACTEOSIDE ; 6-ACETYLACTEOSIDE |
pro_mdlNumber: | MFCD04974479 |
pro_acceptors: | 16 |
pro_donors: | 8 |
pro_smile: | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/c3ccc(c(c3)O)O)COC(=O)C)OCCc4ccc(c(c4)O)O)O)O)O)O |
InChi: | InChI=1S/C31H38O16/c1-14-24(38)25(39)26(40)31(44-14)47-29-27(41)30(42-10-9-17-4-7-19(34)21(36)12-17)45-22(13-43-15(2)32)28(29)46-23(37)8-5-16-3-6-18(33)20(35)11-16/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1 |
InChiKey: | InChIKey=JBGBPOYDCGQCJC-MWKLXWFVSA-N |
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