16alpha-hydroxyprogesterone

Properties Image MNX_ID MNXM734531 reference chebi:15826 formula C21H30O3 global charge 0 mol weight 330.468 InChIKey LOVNYFVWYTXDRE-RMWFXKKMSA-N InChI InChI=1S/C21H30O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21+/m1/s1 SMILES CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C21H30O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21+/m1/s1 SMILES (mnx) [CH3:1][C:12]([C@H:19]1[C@H:18]([OH:24])[CH2:11][C@H:17]2[C@@H:15]3[CH2:5][CH2:4][C:13]4=[CH:10][C:14](=[O:23])[CH2:6][CH2:8][C@:20]4([CH3:2])[C@H:16]3[CH2:7][CH2:9][C@@:21]21[CH3:3])=[O:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 1