2-Hydroxyethinylestradiol

Properties Image MNX_ID MNXM150564 reference chebi:166765 formula C20H24O3 global charge 0 mol weight 312.409 InChIKey KQJCDKMHNQVWDV-BKRJIHRRSA-N InChI InChI=1S/C20H24O3/c1-3-20(23)9-7-16-14-5-4-12-10-17(21)18(22)11-15(12)13(14)6-8-19(16,20)2/h1,10-11,13-14,16,21-23H,4-9H2,2H3/t13-,14+,16-,19-,20-/m0/s1 SMILES C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(C=C(O)C(O)=C4)[C@H]3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C20H24O3/c1-3-20(23)9-7-16-14-5-4-12-10-17(21)18(22)11-15(12)13(14)6-8-19(16,20)2/h1,10-11,13-14,16,21-23H,4-9H2,2H3/t13-,14+,16-,19-,20-/m0/s1 SMILES (mnx) [CH:1]#[C:3][C@:20]1([OH:23])[CH2:9][CH2:7][C@H:16]2[C@@H:14]3[CH2:5][CH2:4][C:12]4=[CH:10][C:17]([OH:21])=[C:18]([OH:22])[CH:11]=[C:15]4[C@H:13]3[CH2:6][CH2:8][C@@:19]21[CH3:2]

Parent-child relations graph

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