19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol

Properties Image MNX_ID MNXM33819 reference chebi:34186 formula C20H28O2 global charge 0 mol weight 300.442 InChIKey XSQAQKNJHGGMRV-KXMHTTHWSA-N InChI InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,14,16-18,21-22H,4-12H2,2H3/t14-,16-,17-,18+,19+,20+/m1/s1 SMILES C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CC[C@@H](O)C4)[C@H]3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,14,16-18,21-22H,4-12H2,2H3/t14-,16-,17-,18+,19+,20+/m1/s1 SMILES (mnx) [CH:1]#[C:3][C@:20]1([OH:22])[CH2:11][CH2:9][C@H:18]2[C@@H:17]3[CH2:6][CH2:4][C:13]4=[C:15]([CH2:7][CH2:5][C@@H:14]([OH:21])[CH2:12]4)[C@H:16]3[CH2:8][CH2:10][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