17beta-Hydroxyandrosta-4,9(11)-dien-3-one

Properties Image MNX_ID MNXM33723 reference chebi:79795 formula C19H26O2 global charge 0 mol weight 286.415 InChIKey IUFOPOQNYKRRML-FQQAFBJJSA-N InChI InChI=1S/C19H26O2/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/h8,11,14-15,17,21H,3-7,9-10H2,1-2H3/t14-,15-,17-,18-,19-/m0/s1 SMILES C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)[C@@H](O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C19H26O2/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/h8,11,14-15,17,21H,3-7,9-10H2,1-2H3/t14-,15-,17-,18-,19-/m0/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:9][CH2:7][C:13](=[O:20])[CH:11]=[C: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][CH:8]=[C:16]12

Parent-child relations graph

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