4-pregnen-20,21-diol-3-one

Properties Image MNX_ID MNXM148663 reference chebi:87841 formula C21H32O3 global charge 0 mol weight 332.484 InChIKey ZCFUAGVJMSGCHS-FYGMKCHKSA-N InChI InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-19,22,24H,3-10,12H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1 SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(O)CO MNX internals InChI (mnx) InChI=1/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-19,22,24H,3-10,12H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1 SMILES (mnx) [CH3:1][C@:20]12[CH2:9][CH2:7][C:14](=[O:23])[CH:11]=[C:13]1[CH2:3][CH2:4][C@H:15]1[C@@H:16]3[CH2:5][CH2:6][C@H:18]([CH:19]([CH2:12][OH:22])[OH:24])[C@@:21]3([CH3:2])[CH2:10][CH2:8][C@@H:17]12

Parent-child relations graph

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