Casearupestrin C, (rel)-

Properties Image Occurences in reactions MNX_ID MNXM103556 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C33H48O8 charge 0 mass 572.33492 reference chebi:67957 InChIKey IIKQVONZJJQKFU-LMANASGISA-N InChI InChI=1S/C33H48O8/c1-8-10-11-12-13-14-15-16-27(36)40-28-22(4)32(6,18-17-21(3)9-2)26-20-24(35)19-25-30(38-7)41-31(39-23(5)34)33(25,26)29(28)37/h9,13-16,19,22,24,26,28-31,35,37H,2-3,8,10-12,17-18,20H2,1,4-7H3/b14-13+,16-15-/t22-,24+,26+,28-,29+,30+,31+,32-,33-/m1/s1 SMILES C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C\C=C\CCCCC)[C@H](O)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC)O[C@@H]3OC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph