17alpha-Hydroxy-5alpha-androstan-3-one

Properties Image MNX_ID MNXM165547 reference sabiorkM:28327 formula C19H30O2 global charge 0 mol weight 290.447 InChIKey NVKAWKQGWWIWPM-OPAYZWDASA-N InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17+,18-,19-/m0/s1 SMILES C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17+,18-,19-/m0/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:9][CH2:7][C:13](=[O:20])[CH2:11][C@@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@@H:17]([OH:21])[C@@:19]3([CH3:2])[CH2:10][CH2:8][C@@H:16]12

Parent-child relations graph

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