basic_info |
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Product_Name: | 诃子鞣酸 |
CAS: | 23094-71-5 |
中文同义词: | 诃子鞣酸 |
EnglishSynonyms: | CHEBULAGIC ACID |
pro_mdlNumber: | MFCD09264640 |
pro_acceptors: | 27 |
pro_donors: | 13 |
pro_smile: | c1c(cc(c(c1O)O)O)C(=O)O[C@H]2[C@H]3[C@H]4[C@@H]([C@H](O2)COC(=O)c5cc(c(c(c5-c6c(cc(c(c6O)O)O)C(=O)O4)O)O)O)OC(=O)[C@H]([C@H]7c8c(cc(c(c8OC(=O)[C@H]7O)O)O)C(=O)O3)CC(=O)O |
InChi: | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33+,34+,41-/m0/s1 |
InChiKey: | InChIKey=HGJXAVROWQLCTP-BVTGIWGTSA-N |
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