(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

Properties Image MNX_ID MNXM172155 reference chebi:106870 formula C31H47N3O4 global charge 0 mol weight 525.734 InChIKey OPCOPDBCCFUTHV-SFOWLQBLSA-N InChI InChI=1S/C31H47N3O4/c1-23-19-34(24(2)22-35)31(36)28-18-27(32(4)5)15-16-29(28)38-25(3)12-10-11-17-37-30(23)21-33(6)20-26-13-8-7-9-14-26/h7-9,13-16,18,23-25,30,35H,10-12,17,19-22H2,1-6H3/t23-,24-,25-,30-/m1/s1 SMILES C[C@@H]1CCCCO[C@H](CN(C)CC2=CC=CC=C2)[C@H](C)CN([C@H](C)CO)C(=O)C2=C(C=CC(N(C)C)=C2)O1 MNX internals InChI (mnx) InChI=1/C31H47N3O4/c1-23-19-34(24(2)22-35)31(36)28-18-27(32(4)5)15-16-29(28)38-25(3)12-10-11-17-37-30(23)21-33(6)20-26-13-8-7-9-14-26/h7-9,13-16,18,23-25,30,35H,10-12,17,19-22H2,1-6H3/t23-,24-,25-,30-/m1/s1 SMILES (mnx) [CH3:1][C@@H:23]1[CH2:19][N:34]([C@H:24]([CH3:2])[CH2:22][OH:35])[C:31](=[O:36])[C:28]2=[CH:18][C:27]([N:32]([CH3:4])[CH3:5])=[CH:15][CH:16]=[C:29]2[O:38][C@H:25]([CH3:3])[CH2:12][CH2:10][CH2:11][CH2:17][O:37][C@@H:30]1[CH2:21][N:33]([CH3:6])[CH2:20][C:26]1=[CH:13][CH:8]=[CH:7][CH:9]=[CH:14]1

Parent-child relations graph

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