EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H44O |
| Net Charge | 0 |
| Average Mass | 396.659 |
| Monoisotopic Mass | 396.33922 |
| SMILES | [H][C@@]12CC=C3[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CCC(=O)C2 |
| InChI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-21,24-26H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | XFPWUGLDJACLNZ-GZTYTQPTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Episterone (CHEBI:182761) is a ergostanoid (CHEBI:50403) |
| IUPAC Name |
|---|
| (5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |