EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:182569 - MLS001332652
| Formula | C24H31FO6 |
| Net Charge | 0 |
| Average Mass | 434.504 |
| Monoisotopic Mass | 434.21047 |
| SMILES | [H][C@@]12CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@]1(C(=O)CO)OC(C)(C)O2 |
| InChI | InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13?,14?,16-,17?,19+,20?,22?,23?,24+/m0/s1 |
| InChIKey | XSFJVAJPIHIPKU-CCRGDLLISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| MLS001332652 (CHEBI:182569) is a 21-hydroxy steroid (CHEBI:35344) |
| IUPAC Name |
|---|
| (4R,8S,19S)-19-luoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one |