asprellic acid C

Properties Image Occurences in reactions MNX_ID MNXM102884 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C48H60O8 charge 0 mass 764.42882 reference chebi:65456 InChIKey YBOIBOWMTWFCEG-AINGNVPBSA-N InChI InChI=1S/C48H60O8/c1-43(2)25-26-47(42(53)54)27-28-48(30-55-40(51)19-11-31-7-13-33(49)14-8-31)35(36(47)29-43)17-18-38-45(5)23-22-39(44(3,4)37(45)21-24-46(38,48)6)56-41(52)20-12-32-9-15-34(50)16-10-32/h7-17,19-20,36-39,49-50H,18,21-30H2,1-6H3,(H,53,54)/b19-11+,20-12-/t36-,37-,38+,39-,45-,46+,47-,48-/m0/s1 SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(COC(=O)/C=C/c4ccc(O)cc4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

Parent-child relations graph

Deprecated MNXref IDs graph