25-Methylgramisterol

Properties Image MNX_ID MNXM117084 reference chebi:175444 formula C30H50O global charge 0 mol weight 426.729 InChIKey KRMCRDNDVNGZDL-UHFFFAOYSA-N InChI InChI=1S/C30H50O/c1-19(9-10-20(2)28(4,5)6)23-13-14-25-22-11-12-24-21(3)27(31)16-18-30(24,8)26(22)15-17-29(23,25)7/h11,19,21,23-27,31H,2,9-10,12-18H2,1,3-8H3 SMILES C=C(CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC21C)C(C)(C)C MNX internals InChI (mnx) InChI=1/C30H50O/c1-19(9-10-20(2)28(4,5)6)23-13-14-25-22-11-12-24-21(3)27(31)16-18-30(24,8)26(22)15-17-29(23,25)7/h11,19,21,23-27,31H,2,9-10,12-18H2,1,3-8H3/t19?,21?,23?,24?,25?,26?,27?,29?,30? SMILES (mnx) [CH3:1][CH:19]([CH2:9][CH2:10][C:20](=[CH2:2])[C:28]([CH3:4])([CH3:5])[CH3:6])[CH:23]1[CH2:13][CH2:14][CH:25]2[C:22]3=[CH:11][CH2:12][CH:24]4[CH:21]([CH3:3])[CH:27]([OH:31])[CH2:16][CH2:18][C:30]4([CH3:8])[CH:26]3[CH2:15][CH2:17][C:29]12[CH3:7]

Parent-child relations graph

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