(17E)-cheilanthenediol

Properties Image MNX_ID MNXM148607 reference chebi:167131 formula C25H44O2 global charge 0 mol weight 376.625 InChIKey PDRNQNQJDMLWPU-YBWUIBAASA-N InChI InChI=1S/C25H44O2/c1-18(12-17-26)8-9-21-24(5)15-10-19-22(2,3)13-7-14-23(19,4)20(24)11-16-25(21,6)27/h12,19-21,26-27H,7-11,13-17H2,1-6H3/b18-12+/t19?,20?,21-,23-,24+,25-/m0/s1 SMILES C/C(=C\CO)CC[C@@H]1[C@@](C)(O)CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C MNX internals InChI (mnx) InChI=1/C25H44O2/c1-18(12-17-26)8-9-21-24(5)15-10-19-22(2,3)13-7-14-23(19,4)20(24)11-16-25(21,6)27/h12,19-21,26-27H,7-11,13-17H2,1-6H3/b18-12+/t19?,20?,21-,23-,24+,25-/m0/s1 SMILES (mnx) [CH3:1]/[C:18]([CH2:8][CH2:9][C@H:21]1[C@:24]2([CH3:5])[CH2:15][CH2:10][CH:19]3[C:22]([CH3:2])([CH3:3])[CH2:13][CH2:7][CH2:14][C@:23]3([CH3:4])[CH:20]2[CH2:11][CH2:16][C@:25]1([CH3:6])[OH:27])=[CH:12]\[CH2:17][OH:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0