(3aR,4R,5R,6aS)-5-Hydroxy-4-{(1E)-3-Oxo-4-[3-(Trifluoromethyl)Phenoxy]-1-Buten-1-Yl}Hexahydro-2H-Cyclopenta[b]Furan-2-One
[CAS# 53872-61-0]

Identification

• Name: (3aR,4R,5R,6aS)-5-Hydroxy-4-{(1E)-3-Oxo-4-[3-(Trifluoromethyl)Phenoxy]-1-Buten-1-Yl}Hexahydro-2H-Cyclopenta[b]Furan-2-One
• Synonyms: Enone-T (for travoprost)
• Molecular Formula: C₁₈H₁₇F₃O₅
• Molecular Weight: 370.32
• CAS Registry Number: 53872-61-0
• SMILES: c1cc(cc(c1)OCC(=O)/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=O)O3)O)C(F)(F)F
• InChI: 1S/C18H17F3O5/c19-18(20,21)10-2-1-3-12(6-10)25-9-11(22)4-5-13-14-7-17(24)26-16(14)8-15(13)23/h1-6,13-16,23H,7-9H2/b5-4+/t13-,14-,15-,16+/m1/s1
• InChIKey: XJNCPPYAVBPUKN-UNOIKEQMSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 512.001°C at 760 mmHg (Cal.)
• Flash point: 263.449°C (Cal.)