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CHEBI:31590 - Falecalcitriol
| Formula | C27H38F6O3 |
| Net Charge | 0 |
| Average Mass | 524.586 |
| Monoisotopic Mass | 524.27251 |
| SMILES | [H][C@]1([C@]([H])(C)CCCC(O)(C(F)(F)F)C(F)(F)F)CC[C@@]2([H])/C(=C/C=C3\C[C@@H](O)C[C@H](O)C3=C)CCC[C@]12C |
| InChI | InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9+/t16-,20-,21-,22+,23+,24-/m1/s1 |
| InChIKey | XPYGGHVSFMUHLH-WSRTYSJNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Falecalcitriol (CHEBI:31590) is a organic molecular entity (CHEBI:50860) |
| Synonyms | Source |
|---|---|
| (+)-(5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol | KEGG COMPOUND |
| Falecalcitoriol | KEGG COMPOUND |
| Falecalcitriol | KEGG COMPOUND |
| flocacitriol | DrugCentral |
| flocalcitriol | DrugCentral |
| flocalcitrol | DrugCentral |