Pregna-1,4,20-trien-3-one

Properties Image MNX_ID MNXM108192 reference chebi:70044 formula C21H28O global charge 0 mol weight 296.454 InChIKey KFTYFBOHSUEIEJ-NWSAAYAGSA-N InChI InChI=1S/C21H28O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,9,11,13-14,17-19H,1,5-8,10,12H2,2-3H3/t14-,17-,18-,19-,20+,21-/m0/s1 SMILES C=C[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C21H28O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,9,11,13-14,17-19H,1,5-8,10,12H2,2-3H3/t14-,17-,18-,19-,20+,21-/m0/s1 SMILES (mnx) [CH2:1]=[CH:4][C@H:14]1[CH2:6][CH2:8][C@H:18]2[C@@H:17]3[CH2:7][CH2:5][C:15]4=[CH:13][C:16](=[O:22])[CH:9]=[CH:11][C@:21]4([CH3:3])[C@H:19]3[CH2:10][CH2:12][C@:20]12[CH3:2]

Parent-child relations graph

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