8alpha-hydroxy-gama-tocopherone

Properties Image MNX_ID MNXM151611 reference biggM:CE7101 formula C28H48O3 global charge 0 mol weight 432.689 InChIKey CSHBKBJSGSRKLB-MPPVQRIUSA-N InChI InChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-27(7)18-16-25-19-26(29)23(5)24(6)28(25,30)31-27/h19-22,30H,8-18H2,1-7H3/t21-,22-,27-,28-/m0/s1 SMILES CC1=C(C)[C@]2(O)O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CCC2=CC1=O MNX internals InChI (mnx) InChI=1/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-27(7)18-16-25-19-26(29)23(5)24(6)28(25,30)31-27/h19-22,30H,8-18H2,1-7H3/t21-,22-,27-,28-/m0/s1 SMILES (mnx) [CH3:1][CH:20]([CH3:2])[CH2:11][CH2:8][CH2:12][C@H:21]([CH3:3])[CH2:13][CH2:9][CH2:14][C@H:22]([CH3:4])[CH2:15][CH2:10][CH2:17][C@@:27]1([CH3:7])[CH2:18][CH2:16][C:25]2=[CH:19][C:26](=[O:29])[C:23]([CH3:5])=[C:24]([CH3:6])[C@:28]2([OH:30])[O:31]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2