basic_info |
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Product_Name: | 3-吖丁啶羧酸,1-(3-硝基苯基)-,甲基酯 |
CAS: | 105613-90-9 |
中文同义词: | 3-吖丁啶羧酸,1-(3-硝基苯基)-,甲基酯 |
EnglishSynonyms: | ANDROST-4-ENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-, S-(FLUOROMETHYL)ESTER, (6ALPHA,11BETA,16ALPHA,17ALPHA)- |
pro_mdlNumber: | MFCD22417173 |
pro_acceptors: | 5 |
pro_donors: | 1 |
pro_smile: | CCC(=O)O[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)CC[C@@]43C)F)F)O)C)C)C(=O)SCF |
InChi: | InChI=1S/C25H33F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h9,13,15-16,18-19,30H,5-8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25-/m1/s1 |
InChiKey: | InChIKey=JPFBGPYMGJGHGN-ZDWTZTIGSA-N |
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