[(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-1-(oxan-2-yloxymethyl)-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-1-(oxan-2-yloxymethyl)-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-1-(tetrahydropyran-2-yloxymethyl)-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-1-(2-oxanyloxymethyl)-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-2-yl] ester IUPAC Name: [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-1-(oxan-2-yloxymethyl)-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-1-(tetrahydropyran-2-yloxymethyl)-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-2-yl] ester Formula: C25H39F3O5S MolecularWeight: 508.63437

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1CCC3(C2CC=C(C3COC4CCCCO4)OS(=O)(=O)C(F)(F)F)C)C)C

Isomeric SMILES

C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC=C([C@H]3COC4CCCCO4)OS(=O)(=O)C(F)(F)F)C)(C)C

InChI

InChI=1S/C25H39F3O5S/c1-22(2)12-7-13-24(4)19(22)11-14-23(3)17(16-32-21-8-5-6-15-31-21)18(9-10-20(23)24)33-34(29,30)25(26,27)28/h9,17,19-21H,5-8,10-16H2,1-4H3/t17-,19+,20+,21?,23+,24+/m1/s1