EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:216056 - (+)-(5alpha,24E)-3beta-acetoxyl-7beta-hydroxylanosta-8,24-dien-11-oxo-26-AL
| Formula | C31H46O5 |
| Net Charge | 0 |
| Average Mass | 498.704 |
| Monoisotopic Mass | 498.33452 |
| SMILES | C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](OC=O)C(C)(C)[C@@H]1C[C@@H]3O |
| InChI | InChI=1S/C31H46O5/c1-19(17-32)9-8-10-20(2)21-11-14-30(6)27-22(34)15-24-28(3,4)25(36-18-33)12-13-29(24,5)26(27)23(35)16-31(21,30)7/h9,17-18,20-22,24-25,34H,8,10-16H2,1-7H3/b19-9+/t20-,21-,22+,24+,25+,29+,30+,31-/m1/s1 |
| InChIKey | GYBAQGGQWHOTNZ-OUOJQNSSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma luteomarginatum (ncbitaxon:1579231) | - | PubMed (30240975) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (+)-(5alpha,24E)-3beta-acetoxyl-7beta-hydroxylanosta-8,24-dien-11-oxo-26-AL (CHEBI:216056) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [(3S,5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-17-[(E,2R)-6-methyl-7-oxohept-5-en-2-yl]-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ormate |
| Manual Xrefs | Databases |
|---|---|
| 78442210 | ChemSpider |