basic_info |
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Product_Name: | 4-甲基癸烷-1-醛 |
CAS: | 80928-52-5 |
中文同义词: | 4-甲基癸烷-1-醛 |
EnglishSynonyms: | VINEOMYCIN B2 |
pro_mdlNumber: | MFCD09752773 |
pro_acceptors: | 18 |
pro_donors: | 4 |
pro_smile: | C[C@@H]1[C@@H](CC[C@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)c3ccc4c(c3O)C(=O)c5ccc(c(c5C4=O)O)C[C@](C)(CC(=O)O)O[C@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7C=CC(=O)[C@@H](O7)C)C)O[C@H]8C=CC(=O)[C@@H](O8)C |
InChi: | InChI=1S/C49H58O18/c1-22-31(50)11-15-38(60-22)64-34-13-17-40(62-24(34)3)66-48-26(5)59-36(19-33(48)52)28-9-10-30-43(45(28)56)47(58)29-8-7-27(44(55)42(29)46(30)57)20-49(6,21-37(53)54)67-41-18-14-35(25(4)63-41)65-39-16-12-32(51)23(2)61-39/h7-12,15-16,22-26,33-36,38-41,48,52,55-56H,13-14,17-21H2,1-6H3,(H,53,54)/t22-,23-,24+,25-,26+,33+,34+,35-,36+,38-,39-,40+,41-,48+,49+/m0/s1 |
InChiKey: | InChIKey=NIXHEPPGVVKFMQ-JGKBENRTSA-N |
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