17beta-(Benzoyloxy)-B-norandrost-4-en-3-one

Properties Image MNX_ID MNXM33663 reference chebi:79523 formula C25H30O3 global charge 0 mol weight 378.512 InChIKey CMGONSOWZSKMAU-BKWLFHPQSA-N InChI InChI=1S/C25H30O3/c1-24-12-10-18(26)14-17(24)15-19-20-8-9-22(25(20,2)13-11-21(19)24)28-23(27)16-6-4-3-5-7-16/h3-7,14,19-22H,8-13,15H2,1-2H3/t19-,20-,21-,22-,24-,25-/m0/s1 SMILES C[C@]12CC[C@H]3[C@@H](CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C25H30O3/c1-24-12-10-18(26)14-17(24)15-19-20-8-9-22(25(20,2)13-11-21(19)24)28-23(27)16-6-4-3-5-7-16/h3-7,14,19-22H,8-13,15H2,1-2H3/t19-,20-,21-,22-,24-,25-/m0/s1 SMILES (mnx) [CH3:1][C@:24]12[CH2:12][CH2:10][C:18](=[O:26])[CH:14]=[C:17]1[CH2:15][C@H:19]1[C@@H:20]3[CH2:8][CH2:9][C@H:22]([O:28][C:23]([C:16]4=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]4)=[O:27])[C@@:25]3([CH3:2])[CH2:13][CH2:11][C@@H:21]12

Parent-child relations graph

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