23-acetoxysoladulcidine

Properties Image MNX_ID MNXM117058 reference chebi:134426 formula C29H47NO4 global charge 0 mol weight 473.698 InChIKey HQJSCXYJQVACQR-DFNKNYFESA-N InChI InChI=1S/C29H47NO4/c1-16-12-25(33-18(3)31)29(30-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(32)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-26,30,32H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,25?,26+,27+,28-,29+/m1/s1 SMILES CC(=O)OC1C[C@@H](C)CN[C@@]12O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C MNX internals InChI (mnx) InChI=1/C29H47NO4/c1-16-12-25(33-18(3)31)29(30-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(32)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-26,30,32H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,25?,26+,27+,28-,29+/m1/s1 SMILES (mnx) [CH3:1][C@@H:16]1[CH2:12][CH:25]([O:33][C:18]([CH3:3])=[O:31])[C@@:29]2([C@@H:17]([CH3:2])[C@H:26]3[C@H:24]([CH2:14][C@H:23]4[C@@H:21]5[CH2:7][CH2:6][C@H:19]6[CH2:13][C@@H:20]([OH:32])[CH2:8][CH2:10][C@:27]6([CH3:4])[C@H:22]5[CH2:9][CH2:11][C@:28]43[CH3:5])[O:34]2)[NH:30][CH2:15]1

Parent-child relations graph

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