EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:177424 - Lup-20(29)-en-28-al, 3beta-hydroxy-
| Formula | C30H48O2 |
| Net Charge | 0 |
| Average Mass | 440.712 |
| Monoisotopic Mass | 440.36543 |
| SMILES | [H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(C=O)CC[C@@H](C(=C)C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C |
| InChI | InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 |
| InChIKey | FELCJAPFJOPHSD-ROUWMTJPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Lup-20(29)-en-28-al, 3beta-hydroxy- (CHEBI:177424) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde |
| Manual Xrefs | Databases |
|---|---|
| 89999 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:13159-28-9 | ChemIDplus |