isomultiflorenol

Properties Image MNX_ID MNXM737573 reference chebi:62262 formula C30H50O global charge 0 mol weight 426.729 InChIKey MCSMMGJCXCBSKD-XCHVDQMNSA-N InChI InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-24,31H,9-19H2,1-8H3/t22-,23+,24-,27+,28+,29+,30-/m0/s1 SMILES CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4 MNX internals InChI (mnx) InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-24,31H,9-19H2,1-8H3/t22-,23+,24-,27+,28+,29+,30-/m0/s1 SMILES (mnx) [CH3:1][C:25]1([CH3:2])[CH2:15][CH2:16][C@:27]2([CH3:5])[CH2:17][CH2:18][C@:29]3([CH3:7])[C:21]4=[C:20]([CH2:11][CH2:14][C@@:30]3([CH3:8])[C@@H:23]2[CH2:19]1)[C@@:28]1([CH3:6])[CH2:13][CH2:12][C@H:24]([OH:31])[C:26]([CH3:3])([CH3:4])[C@@H:22]1[CH2:10][CH2:9]4

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0