11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione

Properties Image MNX_ID MNXM33163 reference chebi:79525 formula C21H30O4 global charge 0 mol weight 346.467 InChIKey BXGCPPYCSCLHER-LBZTYHDASA-N InChI InChI=1S/C21H30O4/c1-11(22)15-9-16(24)18-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3/t14-,15+,16-,17+,18+,19+,20-,21+/m0/s1 SMILES CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C MNX internals InChI (mnx) InChI=1/C21H30O4/c1-11(22)15-9-16(24)18-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3/t14-,15+,16-,17+,18+,19+,20-,21+/m0/s1 SMILES (mnx) [CH3:1][C:11]([C@H:15]1[CH2:9][C@H:16]([OH:24])[C@H:18]2[C@@H:14]3[CH2:5][CH2:4][C:12]4=[CH:8][C:13](=[O:23])[CH2:6][CH2:7][C@:20]4([CH3:2])[C@H:19]3[C@H:17]([OH:25])[CH2:10][C@:21]12[CH3:3])=[O:22]

Parent-child relations graph

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