(6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one

Properties Image MNX_ID MNXM736222 reference chebi:22450 formula C20H20N2O3 global charge 0 mol weight 336.391 InChIKey SZINUGQCTHLQAZ-DQYPLSBCSA-N InChI InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1 SMILES CC(=O)C1=C(O)[C@@H]2[C@H]3C4=CNC5=CC=CC(=C54)C[C@H]3C(C)(C)N2C1=O MNX internals InChI (mnx) InChI=1/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1 SMILES (mnx) [CH3:1][C:9]([C:14]1=[C:18]([OH:24])[C@@H:17]2[C@H:16]3[C:11]4=[CH:8][NH:21][C:13]5=[CH:6][CH:4]=[CH:5][C:10](=[C:15]45)[CH2:7][C@H:12]3[C:20]([CH3:2])([CH3:3])[N:22]2[C:19]1=[O:25])=[O:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0