(3beta,5alpha)-14-Methyl-9,19-cycloergost-25-en-3-ol

Properties Image MNX_ID MNXM115096 reference hmdb:HMDB0032146 formula C29H48O global charge 0 mol weight 412.702 InChIKey NEYDVBKPEQZSBX-UHFFFAOYSA-N InChI InChI=1S/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-25,30H,1,7-18H2,2-6H3 SMILES C=C(C)C(C)CCC(C)C1CCC2(C)C3CCC4CC(O)CCC45CC35CCC12C MNX internals InChI (mnx) InChI=1/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-25,30H,1,7-18H2,2-6H3/t20?,21?,22?,23?,24?,25?,26?,27?,28?,29? SMILES (mnx) [CH2:1]=[C:19]([CH3:2])[CH:20]([CH3:3])[CH2:7][CH2:8][CH:21]([CH3:4])[CH:24]1[CH2:12][CH2:13][C:27]2([CH3:6])[CH:25]3[CH2:10][CH2:9][CH:22]4[CH2:17][CH:23]([OH:30])[CH2:11][CH2:14][C:28]45[CH2:18][C:29]35[CH2:16][CH2:15][C:26]12[CH3:5]

Parent-child relations graph

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