basic_info |
|
| Product_Name: | PX-866 |
| CAS: | 502632-66-8 |
| EnglishSynonyms: | PX-866 |
| pro_mdlNumber: | MFCD07784511 |
| pro_acceptors: | 8 |
| pro_donors: | 1 |
| pro_smile: | CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](CC(=O)/C(=C/N(CC=C)CC=C)/C4=C(C3=O)O)COC)C)C |
| InChi: | InChI=1S/C30H37NO7/c1-7-11-31(12-8-2)15-19-21(33)13-18(16-37-6)30(5)25(19)28(36)27(35)24-20-9-10-23(34)29(20,4)14-22(26(24)30)38-17(3)32/h7-8,15,18,20,22,36H,1-2,9-14,16H2,3-6H3/b19-15-/t18-,20+,22-,29+,30+/m1/s1 |
| InChiKey: | InChIKey=JORQLVMSNUQJAM-KTYJVNCESA-N |
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