[(13S,17R)-17-ethynyl-17-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoyloxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate

Systemtic Name: [(13S,17R)-17-ethynyl-17-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoyloxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate Openeye Name: [(13S,17R)-17-ethynyl-17-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2,2,3,3,4,4,4-heptafluorobutanoate CAS Name: 2,2,3,3,4,4,4-heptafluorobutanoic acid [(13S,17R)-17-ethynyl-17-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(13S,17R)-17-ethynyl-17-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2,2,3,3,4,4,4-heptafluorobutanoate Traditional Name: 2,2,3,3,4,4,4-heptafluorobutyric acid [(13S,17R)-17-ethynyl-17-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C28H22F14O4 MolecularWeight: 688.449525

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCC4=C3C=CC(=C4)OC(=O)C(C(C(F)(F)F)(F)F)(F)F

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@]2(C#C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCC4=C3C=CC(=C4)OC(=O)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C28H22F14O4/c1-3-22(46-20(44)24(31,32)26(35,36)28(40,41)42)11-9-18-17-6-4-13-12-14(5-7-15(13)16(17)8-10-21(18,22)2)45-19(43)23(29,30)25(33,34)27(37,38)39/h1,5,7,12,16-18H,4,6,8-11H2,2H3/t16?,17?,18?,21-,22-/m0/s1