11beta-Chloromethylestradiol

Properties Image MNX_ID MNXM33205 reference chebi:34142 formula C19H25ClO2 global charge 0 mol weight 320.86 InChIKey CADGCTOWBAPSFQ-OQFXVXKWSA-N InChI InChI=1S/C19H25ClO2/c1-19-9-12(10-20)18-14-5-3-13(21)8-11(14)2-4-15(18)16(19)6-7-17(19)22/h3,5,8,12,15-18,21-22H,2,4,6-7,9-10H2,1H3/t12-,15+,16+,17+,18-,19+/m1/s1 SMILES C[C@]12C[C@H](CCl)[C@@H]3C4=C(C=C(O)C=C4)CC[C@H]3[C@@H]1CC[C@@H]2O MNX internals InChI (mnx) InChI=1/C19H25ClO2/c1-19-9-12(10-20)18-14-5-3-13(21)8-11(14)2-4-15(18)16(19)6-7-17(19)22/h3,5,8,12,15-18,21-22H,2,4,6-7,9-10H2,1H3/t12-,15+,16+,17+,18-,19+/m1/s1 SMILES (mnx) [CH3:1][C@:19]12[CH2:9][C@H:12]([CH2:10][Cl:20])[C@@H:18]3[C:14]4=[CH:5][CH:3]=[C:13]([OH:21])[CH:8]=[C:11]4[CH2:2][CH2:4][C@H:15]3[C@@H:16]1[CH2:6][CH2:7][C@@H:17]2[OH:22]

Parent-child relations graph

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