triterpenoid ursolic acid 0 456.36035 456.711 C30H48O3 3beta-hydroxyurs-12-en-28-oic acid pdb-ccd:6Q5 CHEBI:9908 knapsack:C00003558 malol kegg.compound:C08988 [H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C pubmed:17516089 cas:77-52-1 drugbank:DB15588 hmdb:HMDB0002395 pubmed:30496629 lipidmaps:LMPR0106180007 Ursolic acid urson A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by a β-hydroxy group at position 3. (3beta)-3-hydroxyurs-12-en-28-oic acid 3beta-hydroxyurs-12-en-28-oic acid pubmed:28493531 chebi_ontology wikipedia.en:Ursolic_acid reaxys:2228563 InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 foodb.food:FDB014373 WCGUUGGRBIKTOS-GPOJBZKASA-N prunol