Cingestol (USAN/INN)

Properties Image MNX_ID MNXM46813 reference keggD:D03509 formula C20H28O global charge 0 mol weight 284.443 InChIKey HSYWFJBHXIUUCZ-XGXHKTLJSA-N InChI InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,8,15-18,21H,4-7,9-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1 SMILES C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4CCCC[C@@H]4[C@H]3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,8,15-18,21H,4-7,9-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1 SMILES (mnx) [CH:1]#[C:3][C@:20]1([OH:21])[CH2:13][CH2:11][C@H:18]2[C@@H:17]3[CH2:9][CH:8]=[C:14]4[CH2:6][CH2:4][CH2:5][CH2:7][C@@H:15]4[C@H:16]3[CH2:10][CH2:12][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