[(8R,9S,13S,14S)-3-methoxycarbonyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(8R,9S,13S,14S)-3-methoxycarbonyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(8R,9S,13S,14S)-3-methoxycarbonyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(8R,9S,13S,14S)-3-methoxycarbonyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S)-3-methoxycarbonyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(8R,9S,13S,14S)-3-carbomethoxyoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C21H23F3O6S MolecularWeight: 460.46393

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC=C2OS(=O)(=O)C(F)(F)F)CCC4=C3C=CC(=C4)OC(=O)OC

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2OS(=O)(=O)C(F)(F)F)CCC4=C3C=CC(=C4)OC(=O)OC

InChI

InChI=1S/C21H23F3O6S/c1-20-10-9-15-14-6-4-13(29-19(25)28-2)11-12(14)3-5-16(15)17(20)7-8-18(20)30-31(26,27)21(22,23)24/h4,6,8,11,15-17H,3,5,7,9-10H2,1-2H3/t15-,16-,17+,20+/m1/s1