22-oxocholest-4-en-3-one

Properties Image MNX_ID MNXM1132340 reference metacycM:CPD-23360 formula C24H36O2 global charge 0 mol weight 356.55 InChIKey JETBVCIUWRCOJK-SVYVOUITSA-N InChI InChI=1S/C24H36O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h14-16,19-22H,4-13H2,1-3H3/t16-,19+,20-,21+,22+,23+,24-/m1/s1 SMILES C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C24H36O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h14-16,19-22H,4-13H2,1-3H3/t16-,19+,20-,21+,22+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:16]([CH2:5][CH2:4][CH:14]=[O:25])[C@H:20]1[CH2:8][CH2:9][C@H:21]2[C@@H:19]3[CH2:7][CH2:6][C:17]4=[CH:15][C:18](=[O:26])[CH2:10][CH2:12][C@:23]4([CH3:2])[C@H:22]3[CH2:11][CH2:13][C@:24]12[CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0