Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1O6WQ6T7G3

Structure

InChI Key WSNODXPBBALQOF-VEJSHDCNSA-N
Smiles CCC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(COC2=CC=CC=C2)(F)F)O)O
InChI
InChI=InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3+,15-14+

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H34F2O5

Cross References

Resources Reference
CAS NUMBER 209860-87-7
NORMAN SUSDAT
FDA SRS 1O6WQ6T7G3
PubChem 6433101
ChemSpider 4938289.0