17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one

Properties Image MNX_ID MNXM33695 reference chebi:79797 formula C19H24O3 global charge 0 mol weight 300.398 InChIKey HYTUXCLDWATLGA-SMYFESCOSA-N InChI InChI=1S/C19H24O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-16,18,21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,18+,19+/m1/s1 SMILES COC1=CC2=C(C=C1)[C@H]1CC[C@]3(C)[C@@H](O)C(=O)C[C@H]3[C@@H]1CC2 MNX internals InChI (mnx) InChI=1/C19H24O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-16,18,21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,18+,19+/m1/s1 SMILES (mnx) [CH3:1][C@:19]12[CH2:8][CH2:7][C@@H:14]3[C:13]4=[CH:6][CH:4]=[C:12]([O:22][CH3:2])[CH:9]=[C:11]4[CH2:3][CH2:5][C@H:15]3[C@@H:16]1[CH2:10][C:17](=[O:20])[C@@H:18]2[OH:21]

Parent-child relations graph

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