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Product_Name: | OBACUNONE |
CAS: | 751-03-1 |
EnglishSynonyms: | OBACUNONE ; OBACUNON |
pro_mdlNumber: | MFCD00075888 |
pro_acceptors: | 7 |
pro_donors: | 0 |
pro_smile: | CC1([C@@H]2CC(=O)[C@@]3([C@@H]([C@]2(C=CC(=O)O1)C)CC[C@@]4([C@]35[C@H](O5)C(=O)O[C@H]4c6ccoc6)C)C)C |
InChi: | InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1 |
InChiKey: | InChIKey=MAYJEFRPIKEYBL-OASIGRBWSA-N |
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