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

Properties Image MNX_ID MNXM172408 reference chebi:104588 formula C27H47N3O4 global charge 0 mol weight 477.69 InChIKey KFCLPYACNRFGCM-FYBXHKAZSA-N InChI InChI=1S/C27H47N3O4/c1-8-14-29(7)18-26-20(2)17-30(21(3)19-31)27(32)24-16-23(28(5)6)12-13-25(24)34-22(4)11-9-10-15-33-26/h12-13,16,20-22,26,31H,8-11,14-15,17-19H2,1-7H3/t20-,21+,22+,26-/m1/s1 SMILES CCCN(C)C[C@H]1OCCCC[C@H](C)OC2=C(C=C(N(C)C)C=C2)C(=O)N([C@@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C27H47N3O4/c1-8-14-29(7)18-26-20(2)17-30(21(3)19-31)27(32)24-16-23(28(5)6)12-13-25(24)34-22(4)11-9-10-15-33-26/h12-13,16,20-22,26,31H,8-11,14-15,17-19H2,1-7H3/t20-,21+,22+,26-/m1/s1 SMILES (mnx) [CH3:1][CH2:8][CH2:14][N:29]([CH3:7])[CH2:18][C@@H:26]1[C@H:20]([CH3:2])[CH2:17][N:30]([C@@H:21]([CH3:3])[CH2:19][OH:31])[C:27](=[O:32])[C:24]2=[CH:16][C:23]([N:28]([CH3:5])[CH3:6])=[CH:12][CH:13]=[C:25]2[O:34][C@@H:22]([CH3:4])[CH2:11][CH2:9][CH2:10][CH2:15][O:33]1

Parent-child relations graph

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