compound 0072086

Properties Image MNX_ID MNXM1186754 reference envipathM:...1f6b167c3a13 formula C20H36O3 global charge 0 mol weight 324.505 InChIKey PMFLEWJUNPFNHQ-UHFFFAOYSA-N InChI InChI=1S/C20H36O3/c1-13(2)14-6-7-16-15(10-14)17(22)11-20(23)18(3,12-21)8-5-9-19(16,20)4/h13-17,21-23H,5-12H2,1-4H3 SMILES CC(C)C1CCC2C(C1)C(O)CC1(O)C(C)(CO)CCCC21C MNX internals InChI (mnx) InChI=1/C20H36O3/c1-13(2)14-6-7-16-15(10-14)17(22)11-20(23)18(3,12-21)8-5-9-19(16,20)4/h13-17,21-23H,5-12H2,1-4H3/t14?,15?,16?,17?,18?,19?,20? SMILES (mnx) [CH3:1][CH:13]([CH3:2])[CH:14]1[CH2:6][CH2:7][CH:16]2[CH:15]([CH2:10]1)[CH:17]([OH:22])[CH2:11][C:20]1([OH:23])[C:18]([CH3:3])([CH2:12][OH:21])[CH2:8][CH2:5][CH2:9][C:19]21[CH3:4]

Parent-child relations graph

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