14,19-Dihydroaspidospermatine

Properties Image MNX_ID MNXM116164 reference chebi:169060 formula C21H28N2O2 global charge 0 mol weight 340.467 InChIKey KNCZYJAUVPNGON-UHFFFAOYSA-N InChI InChI=1S/C21H28N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h5-7,14-15,18,20H,4,8-12H2,1-3H3 SMILES CCC1C2CCN3CCC4(C5=C(C(OC)=CC=C5)N(C(C)=O)C4C2)C13 MNX internals InChI (mnx) InChI=1/C21H28N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h5-7,14-15,18,20H,4,8-12H2,1-3H3/t14?,15?,18?,20?,21? SMILES (mnx) [CH3:1][CH2:4][CH:15]1[CH:14]2[CH2:8][CH2:10][N:22]3[CH2:11][CH2:9][C:21]4([C:16]5=[CH:6][CH:5]=[CH:7][C:17]([O:25][CH3:3])=[C:19]5[N:23]([C:13]([CH3:2])=[O:24])[CH:18]4[CH2:12]2)[CH:20]13

Parent-child relations graph

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