basic_info |
|
| Product_Name: | ANTHROYLOUABAIN |
| CAS: | 62026-02-2 |
| EnglishSynonyms: | ANTHROYLOUABAIN |
| pro_mdlNumber: | MFCD00171228 |
| pro_acceptors: | 13 |
| pro_donors: | 7 |
| pro_smile: | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)OC(=O)c7c8ccccc8cc9c7cccc9)O |
| InChi: | InChI=1S/C44H52O13/c1-22-36(49)38(57-39(51)34-27-9-5-3-7-23(27)15-24-8-4-6-10-28(24)34)37(50)40(55-22)56-26-17-32(47)43(21-45)35-30(11-13-42(43,52)18-26)44(53)14-12-29(25-16-33(48)54-20-25)41(44,2)19-31(35)46/h3-10,15-16,22,26,29-32,35-38,40,45-47,49-50,52-53H,11-14,17-21H2,1-2H3/t22-,26-,29+,30+,31+,32+,35+,36-,37+,38+,40-,41+,42-,43+,44-/m0/s1 |
| InChiKey: | InChIKey=CSNRMZGUGASWCS-XLAOFTCCSA-N |
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