17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol

Properties Image MNX_ID MNXM33623 reference chebi:79695 formula C21H29NO2 global charge 0 mol weight 327.468 InChIKey NYIRPOUXYQWAQW-OBQKJFGGSA-N InChI InChI=1S/C21H29NO2/c1-19-11-13-12-22-24-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h10,12,15-17,23H,4-9,11H2,1-3H3/t15-,16+,17+,19+,20+,21+/m1/s1 SMILES C[C@]12CC3=C(C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)ON=C3 MNX internals InChI (mnx) InChI=1/C21H29NO2/c1-19-11-13-12-22-24-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h10,12,15-17,23H,4-9,11H2,1-3H3/t15-,16+,17+,19+,20+,21+/m1/s1 SMILES (mnx) [CH3:1][C@:19]12[CH2:11][C:13]3=[C:18]([CH:10]=[C:14]1[CH2:4][CH2:5][C@@H:15]1[C@@H:16]2[CH2:6][CH2:8][C@@:20]2([CH3:2])[C@H:17]1[CH2:7][CH2:9][C@:21]2([CH3:3])[OH:23])[O:24][N:22]=[CH:12]3

Parent-child relations graph

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