17beta-Hydroxy-4-methylestr-4-en-3-one

Properties Image MNX_ID MNXM33702 reference chebi:79896 formula C19H28O2 global charge 0 mol weight 288.431 InChIKey LKABUQNJWMHBKS-FIAUESIKSA-N InChI InChI=1S/C19H28O2/c1-11-12-3-4-15-14(13(12)5-7-17(11)20)9-10-19(2)16(15)6-8-18(19)21/h13-16,18,21H,3-10H2,1-2H3/t13-,14+,15+,16-,18-,19-/m0/s1 SMILES CC1=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@H]2CCC1=O MNX internals InChI (mnx) InChI=1/C19H28O2/c1-11-12-3-4-15-14(13(12)5-7-17(11)20)9-10-19(2)16(15)6-8-18(19)21/h13-16,18,21H,3-10H2,1-2H3/t13-,14+,15+,16-,18-,19-/m0/s1 SMILES (mnx) [CH3:1][C:11]1=[C:12]2[CH2:3][CH2:4][C@@H:15]3[C@H:14]([CH2:9][CH2:10][C@@:19]4([CH3:2])[C@H:16]3[CH2:6][CH2:8][C@@H:18]4[OH:21])[C@H:13]2[CH2:5][CH2:7][C:17]1=[O:20]

Parent-child relations graph

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