basic_info |
|
| Product_Name: | 20-BETA,21-DIHYDROXY-11-OXO-5-BETA-PREGNAN-3-ALPHA-YL-BETA-D-GLUCURONIDE |
| EnglishSynonyms: | 20-BETA,21-DIHYDROXY-11-OXO-5-BETA-PREGNAN-3-ALPHA-YL-BETA-D-GLUCURONIDE |
| pro_mdlNumber: | MFCD00200294 |
| pro_acceptors: | 10 |
| pro_donors: | 6 |
| pro_smile: | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4[C@@H](CO)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| InChi: | InChI=1S/C27H42O10/c1-26-8-7-13(36-25-22(33)20(31)21(32)23(37-25)24(34)35)9-12(26)3-4-14-15-5-6-16(18(30)11-28)27(15,2)10-17(29)19(14)26/h12-16,18-23,25,28,30-33H,3-11H2,1-2H3,(H,34,35)/t12-,13-,14+,15+,16-,18-,19-,20+,21+,22-,23+,25-,26+,27+/m1/s1 |
| InChiKey: | InChIKey=WBOYRSNODXBXEJ-ZIIILSEHSA-N |
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