24-alpha-Methyllophenol

Properties Image MNX_ID MNXM117073 reference hmdb:HMDB0302845 formula C29H50O global charge 0 mol weight 414.718 InChIKey AOQRDALGACAKHI-SBMPNGHBSA-N InChI InChI=1S/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18-21,23-27,30H,8-9,11-17H2,1-7H3/t19-,20+,21-,23+,24-,25?,26?,27-,28+,29-/m0/s1 SMILES CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18-21,23-27,30H,8-9,11-17H2,1-7H3/t19-,20+,21-,23+,24-,25?,26?,27-,28+,29-/m0/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[C@@H:19]([CH3:3])[CH2:8][CH2:9][C@@H:20]([CH3:4])[C@H:23]1[CH2:12][CH2:13][CH:25]2[C:22]3=[CH:10][CH2:11][C@H:24]4[C@H:21]([CH3:5])[C@@H:27]([OH:30])[CH2:15][CH2:17][C@:29]4([CH3:7])[CH:26]3[CH2:14][CH2:16][C@:28]12[CH3:6]

Parent-child relations graph

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