(3R,9R,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

Properties Image MNX_ID MNXM172136 reference chebi:95428 formula C32H47N3O6 global charge 0 mol weight 569.743 InChIKey WIYHORLWMFSPCL-QJWQVSSASA-N InChI InChI=1S/C32H47N3O6/c1-22-17-35(23(2)20-36)32(37)27-16-26(33(4)5)11-13-28(27)41-24(3)9-7-8-14-38-31(22)19-34(6)18-25-10-12-29-30(15-25)40-21-39-29/h10-13,15-16,22-24,31,36H,7-9,14,17-21H2,1-6H3/t22-,23-,24-,31+/m1/s1 SMILES C[C@@H]1CCCCO[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)[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/C32H47N3O6/c1-22-17-35(23(2)20-36)32(37)27-16-26(33(4)5)11-13-28(27)41-24(3)9-7-8-14-38-31(22)19-34(6)18-25-10-12-29-30(15-25)40-21-39-29/h10-13,15-16,22-24,31,36H,7-9,14,17-21H2,1-6H3/t22-,23-,24-,31+/m1/s1 SMILES (mnx) [CH3:1][C@@H:22]1[CH2:17][N:35]([C@H:23]([CH3:2])[CH2:20][OH:36])[C:32](=[O:37])[C:27]2=[CH:16][C:26]([N:33]([CH3:4])[CH3:5])=[CH:11][CH:13]=[C:28]2[O:41][C@H:24]([CH3:3])[CH2:9][CH2:7][CH2:8][CH2:14][O:38][C@H:31]1[CH2:19][N:34]([CH3:6])[CH2:18][C:25]1=[CH:15][C:30]2=[C:29]([CH:12]=[CH:10]1)[O:39][CH2:21][O:40]2

Parent-child relations graph

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