basic_info |
|
| Product_Name: | OUABAGENIN 3,11,19-TRIACETATE |
| EnglishSynonyms: | OUABAGENIN 3,11,19-TRIACETATE |
| pro_mdlNumber: | MFCD00201009 |
| pro_acceptors: | 11 |
| pro_donors: | 3 |
| pro_smile: | CC(=O)OC[C@]12[C@@H](C[C@@H](C[C@]1(CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC(=O)C)O)OC(=O)C)O |
| InChi: | InChI=1S/C29H40O11/c1-15(30)38-14-28-23(33)10-19(39-16(2)31)11-27(28,35)7-5-21-25(28)22(40-17(3)32)12-26(4)20(6-8-29(21,26)36)18-9-24(34)37-13-18/h9,19-23,25,33,35-36H,5-8,10-14H2,1-4H3/t19-,20+,21+,22+,23+,25+,26+,27-,28+,29-/m0/s1 |
| InChiKey: | InChIKey=KESMJXVKHKQATP-DHDLTVPNSA-N |
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