3-(Z)-caffeoyllupeol

Properties Image Occurences in reactions MNX_ID MNXM101798 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C39H56O4 charge 0 mass 588.41786 reference chebi:65549 InChIKey NIKLINODNHPPMX-JPXCXHODSA-N InChI InChI=1S/C39H56O4/c1-24(2)26-15-18-36(5)21-22-38(7)27(34(26)36)11-13-31-37(6)19-17-32(35(3,4)30(37)16-20-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-10,12,14,23,26-27,30-32,34,40-41H,1,11,13,15-22H2,2-8H3/b14-10-/t26-,27+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1 SMILES C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C\c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph