[(7R,13S,16R)-13-methyl-16-oxidanyl-7-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]nonyl]spiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,1'-cyclopropane]-3-yl] ethanoate

Systemtic Name: [(7R,13S,16R)-13-methyl-16-oxidanyl-7-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfinyl]nonyl]spiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,1'-cyclopropane]-3-yl] ethanoate Openeye Name: [(7R,13S,16R)-16-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]spiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,1'-cyclopropane]-3-yl] acetate CAS Name: acetic acid [(7R,13S,16R)-16-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-3-spiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,1'-cyclopropane]yl] ester IUPAC Name: [(7R,13S,16R)-16-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]spiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,1'-cyclopropane]-3-yl] acetate Traditional Name: acetic acid [(7R,13S,16R)-16-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]spiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,1'-cyclopropane]-3-yl] ester Formula: C36H51F5O4S MolecularWeight: 674.844756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3C(C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)CC(C45CC5)O)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3CC[C@]4(C(C3[C@@H](C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)C[C@H](C45CC5)O)C

InChI

InChI=1S/C36H51F5O4S/c1-24(42)45-27-12-13-28-26(22-27)21-25(32-29(28)14-16-33(2)30(32)23-31(43)34(33)17-18-34)11-8-6-4-3-5-7-9-19-46(44)20-10-15-35(37,38)36(39,40)41/h12-13,22,25,29-32,43H,3-11,14-21,23H2,1-2H3/t25-,29?,30?,31-,32?,33+,46?/m1/s1