(22E)-23-methylergosta-5, 7-22-trien-3beta-ol

Properties Image MNX_ID MNXM115075 reference chebi:215740 formula C29H46O global charge 0 mol weight 410.686 InChIKey MNBTWOPOWPOHGH-IZIYXJCYSA-N InChI InChI=1S/C29H46O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8-9,16,18,20-21,23,25-27,30H,10-15,17H2,1-7H3/b19-16+/t20-,21-,23+,25-,26+,27+,28+,29-/m1/s1 SMILES C/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H](C)C(C)C MNX internals InChI (mnx) InChI=1/C29H46O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8-9,16,18,20-21,23,25-27,30H,10-15,17H2,1-7H3/b19-16+/t20-,21-,23+,25-,26+,27+,28+,29-/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[C@@H:21]([CH3:5])/[C:19]([CH3:3])=[CH:16]/[C@@H:20]([CH3:4])[C@H:25]1[CH2:10][CH2:11][C@H:26]2[C:24]3=[CH:9][CH:8]=[C:22]4[CH2:17][C@@H:23]([OH:30])[CH2:12][CH2:14][C@:28]4([CH3:6])[C@H:27]3[CH2:13][CH2:15][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