(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one
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![(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9d3c79bf988c4848bb7931eee5a1d629.png "(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one")
(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one
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CAS No:
208111-98-2
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Formula:
C25H21F3O6
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Chemical Name:
(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one
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Synonyms:
2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-, (3aR,4R,5R,6aS)-;TV-BK;(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one;TV-BK (Travoprost);TV-BPK
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CAS No:
(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one Basic Attributes
474.43
474.129028
Characteristics
78.90000
3.88
1.4±0.1 g/cm3
612.5±55.0 °C at 760 mmHg
312.1±26.4 °C
1.573
6.09E-15mmHg at 25°C
Computed Properties
Molecular Weight:474.4
XLogP3:4.7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:474.12902287
Monoisotopic Mass:474.12902287
Topological Polar Surface Area:78.9
Heavy Atom Count:34
Complexity:788
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one
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