(3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one

Properties Image MNX_ID MNXM172014 reference chebi:93592 formula C22H23NO7 global charge 0 mol weight 413.426 InChIKey AKNNEGZIBPJZJG-QZTJIDSGSA-N InChI InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18-/m1/s1 SMILES COC1=CC=C2C(=C1OC)C(=O)O[C@H]2[C@H]1C2=C(OC)C3=C(C=C2CCN1C)OCO3 MNX internals InChI (mnx) InChI=1/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18-/m1/s1 SMILES (mnx) [CH3:1][N:23]1[CH2:8][CH2:7][C:11]2=[CH:9][C:14]3=[C:20]([C:21]([O:27][CH3:4])=[C:15]2[C@@H:17]1[C@H:18]1[C:12]2=[C:16]([C:19]([O:26][CH3:3])=[C:13]([O:25][CH3:2])[CH:6]=[CH:5]2)[C:22](=[O:24])[O:30]1)[O:29][CH2:10][O:28]3

Parent-child relations graph

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