basic_info |
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Product_Name: | ACO-HO-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA(A)PHENANTHRENE-CARBOXYLIC ACID ME ESTER |
EnglishSynonyms: | ACO-HO-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA(A)PHENANTHRENE-CARBOXYLIC ACID ME ESTER |
pro_mdlNumber: | MFCD00226842 |
pro_acceptors: | 5 |
pro_donors: | 1 |
pro_smile: | CC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CCC3C2C(C[C@]4([C@H]3CCC4C(=O)OC)C)O)C |
InChi: | InChI=1S/C23H36O5/c1-13(24)28-15-9-10-22(2)14(11-15)5-6-16-17-7-8-18(21(26)27-4)23(17,3)12-19(25)20(16)22/h14-20,25H,5-12H2,1-4H3/t14-,15-,16?,17+,18?,19?,20?,22+,23+/m1/s1 |
InChiKey: | InChIKey=GAELAQFJULRHDW-WEJDAWBNSA-N |
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