5-Methoxypodophyllotoxin

Properties Image MNX_ID MNXM14987 reference chebi:188507 formula C23H24O9 global charge 0 mol weight 444.436 InChIKey PDQAOYGENRRPQO-UXDKQJBESA-N InChI InChI=1S/C23H24O9/c1-26-13-5-10(6-14(27-2)20(13)28-3)16-11-7-15-21(32-9-31-15)22(29-4)18(11)19(24)12-8-30-23(25)17(12)16/h5-7,12,16-17,19,24H,8-9H2,1-4H3/t12-,16+,17-,19+/m0/s1 SMILES COC1=CC([C@@H]2C3=C(C(OC)=C4OCOC4=C3)[C@H](O)[C@H]3COC(=O)[C@H]23)=CC(OC)=C1OC MNX internals InChI (mnx) InChI=1/C23H24O9/c1-26-13-5-10(6-14(27-2)20(13)28-3)16-11-7-15-21(32-9-31-15)22(29-4)18(11)19(24)12-8-30-23(25)17(12)16/h5-7,12,16-17,19,24H,8-9H2,1-4H3/t12-,16+,17-,19+/m0/s1 SMILES (mnx) [CH3:1][O:26][C:13]1=[C:20]([O:28][CH3:3])[C:14]([O:27][CH3:2])=[CH:6][C:10]([C@@H:16]2[C:11]3=[CH:7][C:15]4=[C:21]([C:22]([O:29][CH3:4])=[C:18]3[C@H:19]([OH:24])[C@H:12]3[CH2:8][O:30][C:23](=[O:25])[C@@H:17]32)[O:32][CH2:9][O:31]4)=[CH:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0