3,24-dioxo-cholest-4-en-26-oate

Properties Image Occurences in reactions MNX_ID MNXM9941 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C27H39O4 charge -1 mass 427.28538 reference metacycM:CPD-13801 InChIKey IMPAUPKKYVCXJW-NHLPYSNWSA-M InChI InChI=1S/C27H40O4/c1-16(5-10-24(29)17(2)25(30)31)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h15-17,20-23H,5-14H2,1-4H3,(H,30,31)/p-1/t16-,17?,20+,21-,22+,23+,26+,27-/m1/s1 SMILES CC(C(=O)[O-])C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph