Cholesteryl ferulate

Properties Image MNX_ID MNXM120494 reference chebi:176060 formula C37H54O4 global charge 0 mol weight 562.835 InChIKey CPBQNAKTSMCPNH-GZTJUZNOSA-N InChI InChI=1S/C37H54O4/c1-24(2)8-7-9-25(3)30-14-15-31-29-13-12-27-23-28(18-20-36(27,4)32(29)19-21-37(30,31)5)41-35(39)17-11-26-10-16-33(38)34(22-26)40-6/h10-12,16-17,22,24-25,28-32,38H,7-9,13-15,18-21,23H2,1-6H3/b17-11+ SMILES COC1=C(O)C=CC(/C=C/C(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)=C1 MNX internals InChI (mnx) InChI=1/C37H54O4/c1-24(2)8-7-9-25(3)30-14-15-31-29-13-12-27-23-28(18-20-36(27,4)32(29)19-21-37(30,31)5)41-35(39)17-11-26-10-16-33(38)34(22-26)40-6/h10-12,16-17,22,24-25,28-32,38H,7-9,13-15,18-21,23H2,1-6H3/b17-11+/t25?,28?,29?,30?,31?,32?,36?,37? SMILES (mnx) [CH3:1][CH:24]([CH3:2])[CH2:8][CH2:7][CH2:9][CH:25]([CH3:3])[CH:30]1[CH2:14][CH2:15][CH:31]2[CH:29]3[CH2:13][CH:12]=[C:27]4[CH2:23][CH:28]([O:41][C:35](/[CH:17]=[CH:11]/[C:26]5=[CH:22][C:34]([O:40][CH3:6])=[C:33]([OH:38])[CH:16]=[CH:10]5)=[O:39])[CH2:18][CH2:20][C:36]4([CH3:4])[CH:32]3[CH2:19][CH2:21][C:37]12[CH3:5]

Parent-child relations graph

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