basic_info |
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| Product_Name: | 14-去氧-12-羟基穿心莲内酯 |
| CAS: | 219721-33-2 |
| 中文同义词: | 14-去氧-12-羟基穿心莲内酯 |
| EnglishSynonyms: | 14-DEOXY-12-HYDROXYANDROGRAPHOLIDE |
| pro_mdlNumber: | MFCD22417330 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C[C@@H](C3=CCOC3=O)O)(C)CO)O |
| InChi: | InChI=1S/C20H30O5/c1-12-4-5-16-19(2,8-6-17(23)20(16,3)11-21)14(12)10-15(22)13-7-9-25-18(13)24/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3/t14-,15+,16+,17-,19+,20+/m1/s1 |
| InChiKey: | InChIKey=KHQNSSJNIXVKMK-XWIHJEQYSA-N |
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