basic_info |
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| Product_Name: | 甘氨石胆酸乙酯 |
| CAS: | 100929-89-3 |
| 中文同义词: | 甘氨石胆酸乙酯 |
| EnglishSynonyms: | 3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER |
| pro_mdlNumber: | MFCD00063334 |
| pro_acceptors: | 5 |
| pro_donors: | 2 |
| pro_smile: | CCOC(=O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChi: | InChI=1S/C28H47NO4/c1-5-33-26(32)17-29-25(31)11-6-18(2)22-9-10-23-21-8-7-19-16-20(30)12-14-27(19,3)24(21)13-15-28(22,23)4/h18-24,30H,5-17H2,1-4H3,(H,29,31)/t18-,19-,20-,21+,22-,23+,24+,27+,28-/m1/s1 |
| InChiKey: | InChIKey=JRXQPFBKHYDFPV-CUYCEIPOSA-N |
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