9,11alpha-epoxypregn-4-ene-3,20-dione

Properties Image MNX_ID MNXM3888 reference chebi:17206 formula C21H28O3 global charge 0 mol weight 328.452 InChIKey FFMULFMLARAIRH-OUZKAEIWSA-N InChI InChI=1S/C21H28O3/c1-12(22)15-6-7-16-17-5-4-13-10-14(23)8-9-20(13,3)21(17)18(24-21)11-19(15,16)2/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19-,20+,21+/m1/s1 SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]34O[C@@H]4C[C@]12C MNX internals InChI (mnx) InChI=1/C21H28O3/c1-12(22)15-6-7-16-17-5-4-13-10-14(23)8-9-20(13,3)21(17)18(24-21)11-19(15,16)2/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19-,20+,21+/m1/s1 SMILES (mnx) [CH3:1][C:12]([C@H:15]1[CH2:6][CH2:7][C@H:16]2[C@@H:17]3[CH2:5][CH2:4][C:13]4=[CH:10][C:14](=[O:23])[CH2:8][CH2:9][C@:20]4([CH3:3])[C@@:21]34[C@@H:18]([CH2:11][C@:19]12[CH3:2])[O:24]4)=[O:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0