basic_info |
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| Product_Name： | 3,6-DIKETOCHOLANIC ACID |
| CAS： | 6868-73-1 |
| EnglishSynonyms： | 5BETA-CHOLANIC ACID-3,6-DIONE ; 3,6-DIKETOCHOLANIC ACID |
| pro_mdlNumber： | MFCD00067128 |
| pro_acceptors： | 4 |
| pro_donors： | 1 |
| pro_smile： | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@H]4[C@@]3(CCC(=O)C4)C)C |
| InChi： | InChI=1S/C24H36O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14,16-20H,4-13H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,20+,23-,24-/m1/s1 |
| InChiKey： | InChIKey=AWINBLVINXVKTE-FSILYXOFSA-N |
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