[(1S,3R,5S,6R)-5-(acetyloxymethyl)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(1S,3R,5S,6R)-5-(acetyloxymethyl)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S,3R,5S,6R)-5-(acetoxymethyl)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(1S,3R,5S,6R)-5-(acetyloxymethyl)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl] ester IUPAC Name: [(1S,3R,5S,6R)-5-(acetyloxymethyl)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1S,3R,5S,6R)-5-(acetoxymethyl)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl] ester Formula: C22H27F3O6 MolecularWeight: 444.44139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(CC2C1(O2)C)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC)(C)C

Isomeric SMILES

CC(=O)OC[C@H]1[C@@]2([C@@H](O2)C[C@H](C1(C)C)OC(=O)[C@](C3=CC=CC=C3)(C(F)(F)F)OC)C

InChI

InChI=1S/C22H27F3O6/c1-13(26)29-12-15-19(2,3)16(11-17-20(15,4)31-17)30-18(27)21(28-5,22(23,24)25)14-9-7-6-8-10-14/h6-10,15-17H,11-12H2,1-5H3/t15-,16-,17+,20-,21-/m1/s1