basic_info |
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| Product_Name: | 牛磺鹅去氧胆酸 |
| CAS: | 128-13-2 ;516-35-8 ;6009-98-9 |
| 中文同义词: | 牛磺鹅去氧胆酸钠 ; 牛磺鹅去氧胆酸 |
| EnglishSynonyms: | TAUROCHENODESOXYCHOLIC ACID ; TAUROCHENODEOXYCHOLIC ACID ; TAUROURSODIOL ; 5BETA-CHOLANIC ACID-3ALPHA,7ALPHA-DIOL N-(2-SULPHOETHYL)-AMIDE ; URSODIOL |
| pro_mdlNumber: | MFCD00232922 |
| pro_acceptors: | 7 |
| pro_donors: | 4 |
| pro_smile: | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChi: | InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 |
| InChiKey: | InChIKey=BHTRKEVKTKCXOH-BJLOMENOSA-N |
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