RefChem:207841

(3aR,4R,5R,6aS)-4-[(E)-4,4-difluoro-3-oxooct-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Also Known As: Lubiprostone Impurity 10|(3aR,4R,5R,6aS)-4-((E)-4,4-difluoro-3-oxooct-1-en-1-yl)-5-((tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one|(3aR,4R,5R,6aS)-4-[(1E)-4,4-Difluoro-3-oxo-1-octen-1-yl]hexahydro-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-cyclopenta[b]furan-2-one|2H-Cyclopenta[b]furan-2-one, 4-[(1E)-4,4-difluoro-3-oxo-1-octen-1-yl]hexahydro-5-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3aR,4R,5R,6aS)-|(3aR,4R,5R,6aS)-4-((1E)-4,4-Difluoro-3-oxo-1-octen-1-yl)hexahydro-5-((tetrahydro-2H-pyran-2-yl)oxy)-2H-cyclopenta(b)furan-2-one|(3aR,4R,5R,6aS)-4-[(E)-4,4-difluoro-3-oxooct-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Molecular Formula	C20H28F2O5
Molecular Weight	386.1905 g/mol
LogP	3.8006
Topological Polar Surface Area	61.83 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	386.1905
Monoisotopic Mass	386.1905
Heavy Atoms	27
Complexity	570.71936

Chemical Identifiers

CAS Number	136790-72-2
SMILES	CCCCC(C(=O)/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC3CCCCO3)(F)F