6,7-Di-O-nicotinoylscutebarbatine G, (rel)

Properties Image Occurences in reactions MNX_ID MNXM102081 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C38H39N3O9 charge 0 mass 681.26863 reference chebi:66488 InChIKey JSOPCSZTJHEWCM-LPOFKSSBSA-N InChI InChI=1S/C38H39N3O9/c1-23-9-5-13-27-35(23,2)30(48-33(44)25-11-7-15-40-20-25)31(49-34(45)26-12-8-16-41-21-26)37(4)36(27,3)28(17-38(50-37)18-29(42)46-22-38)47-32(43)24-10-6-14-39-19-24/h6-12,14-16,19-21,27-28,30-31H,5,13,17-18,22H2,1-4H3/t27-,28-,30-,31-,35-,36-,37-,38-/m0/s1 SMILES CC1=CCC[C@@H]2[C@@]3(C)[C@@H](OC(=O)c4cccnc4)C[C@]4(COC(=O)C4)O[C@@]3(C)[C@@H](OC(=O)c3cccnc3)[C@H](OC(=O)c3cccnc3)[C@@]12C

Parent-child relations graph

Deprecated MNXref IDs graph