betulin di(3-carboxybutanoate)

Properties Image Occurences in reactions MNX_ID MNXM103190 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C40H62O8 charge 0 mass 670.44447 reference chebi:65486 InChIKey WFCWZNNEFSCJLR-KPSWSAGWSA-N InChI InChI=1S/C40H62O8/c1-23(2)26-12-17-40(22-47-31(41)20-24(3)34(43)44)19-18-38(8)27(33(26)40)10-11-29-37(7)15-14-30(48-32(42)21-25(4)35(45)46)36(5,6)28(37)13-16-39(29,38)9/h24-30,33H,1,10-22H2,2-9H3,(H,43,44)(H,45,46)/t24?,25?,26-,27+,28-,29+,30-,33+,37-,38+,39+,40+/m0/s1 SMILES C=C(C)[C@@H]1CC[C@]2(COC(=O)CC(C)C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph