[(3S,8R,9S,10S,13S,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2S)-1-phenylmethoxypropan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(3S,8R,9S,10S,13S,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2S)-1-phenylmethoxypropan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(3S,8R,9S,10S,13S,14R,17R)-17-[(1S)-2-benzyloxy-1-methyl-ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(3S,8R,9S,10S,13S,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2S)-1-phenylmethoxypropan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ester IUPAC Name: [(3S,8R,9S,10S,13S,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2S)-1-phenylmethoxypropan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(3S,8R,9S,10S,13S,14R,17R)-17-[(1S)-2-benzoxy-1-methyl-ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ester Formula: C36H55F3O5SSi MolecularWeight: 684.96461

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C2C(=CC3C2(CCC4C3CCC5C4(CCC(C5)O[Si](C)(C)C(C)(C)C)C)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C[C@H](COCC1=CC=CC=C1)[C@H]2C(=C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5[C@@]4(CC[C@@H](C5)O[Si](C)(C)C(C)(C)C)C)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C36H55F3O5SSi/c1-24(22-42-23-25-12-10-9-11-13-25)32-31(43-45(40,41)36(37,38)39)21-30-28-15-14-26-20-27(44-46(7,8)33(2,3)4)16-18-34(26,5)29(28)17-19-35(30,32)6/h9-13,21,24,26-30,32H,14-20,22-23H2,1-8H3/t24-,26?,27+,28-,29+,30+,32+,34+,35+/m1/s1