Delta24-25-sitosterol

Properties Image MNX_ID MNXM13307 reference metacycM:CPD-4142 formula C29H48O global charge 0 mol weight 412.702 InChIKey YYLFLRIUDMIWTD-VEVYEIKRSA-N InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20,23-27,30H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)=C(C)C MNX internals InChI (mnx) InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20,23-27,30H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 SMILES (mnx) [CH3:1][CH2:7][C:21]([CH2:9][CH2:8][C@@H:20]([CH3:4])[C@H:25]1[CH2:12][CH2:13][C@H:26]2[C@@H:24]3[CH2:11][CH:10]=[C:22]4[CH2:18][C@@H:23]([OH:30])[CH2:14][CH2:16][C@:28]4([CH3:5])[C@H:27]3[CH2:15][CH2:17][C@:29]12[CH3:6])=[C:19]([CH3:2])[CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0