EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:67949 - 3β-acetoxyolean-18-en-28-oic acid
| Formula | C32H50O4 |
| Net Charge | 0 |
| Average Mass | 498.748 |
| Monoisotopic Mass | 498.37091 |
| SMILES | [H][C@]12CC[C@]3([H])C4=CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(C)=O)CC[C@]21C |
| InChI | InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h19,21,23-25H,9-18H2,1-8H3,(H,34,35)/t21-,23+,24-,25+,29+,30-,31-,32+/m1/s1 |
| InChIKey | ATCLOZHDTYBRBI-MGIFRHGRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Juglans sinensis (ncbitaxon:442437-1) | |||
| leaf (BTO:0000713) | PubMed (21309591) | 80% Methanolic extract of dried leaves and twigs | |
| twig (BTO:0001411) | PubMed (21309591) | 80% Methanolic extract of dried leaves and twigs |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3β-acetoxyolean-18-en-28-oic acid (CHEBI:67949) has parent hydride oleanane (CHEBI:36481) |
| 3β-acetoxyolean-18-en-28-oic acid (CHEBI:67949) has role plant metabolite (CHEBI:76924) |
| 3β-acetoxyolean-18-en-28-oic acid (CHEBI:67949) is a acetate ester (CHEBI:47622) |
| 3β-acetoxyolean-18-en-28-oic acid (CHEBI:67949) is a monocarboxylic acid (CHEBI:25384) |
| 3β-acetoxyolean-18-en-28-oic acid (CHEBI:67949) is a pentacyclic triterpenoid (CHEBI:25872) |
| IUPAC Name |
|---|
| 3β-(acetyloxy)olean-18-en-28-oic acid |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3180462 | Reaxys |
| Citations |
|---|