[(7R,8R,9S,13S,14S,16R,17R)-16-fluoranyl-3-(methoxymethoxy)-13-methyl-7-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfonyl]nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate

Systemtic Name: [(7R,8R,9S,13S,14S,16R,17R)-16-fluoranyl-3-(methoxymethoxy)-13-methyl-7-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfonyl]nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Openeye Name: [(7R,8R,9S,13S,14S,16R,17R)-16-fluoro-3-(methoxymethoxy)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate CAS Name: sulfuric acid [(7R,8R,9S,13S,14S,16R,17R)-16-fluoro-3-(methoxymethoxy)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(7R,8R,9S,13S,14S,16R,17R)-16-fluoro-3-(methoxymethoxy)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Traditional Name: sulfuric acid [(7R,8R,9S,13S,14S,16R,17R)-16-fluoro-3-(methoxymethoxy)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C34H50F6O8S2 MolecularWeight: 764.876419

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2OS(=O)(=O)O)F)C(CC4=C3C=CC(=C4)OCOC)CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2OS(=O)(=O)O)F)[C@@H](CC4=C3C=CC(=C4)OCOC)CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F

InChI

InChI=1S/C34H50F6O8S2/c1-32-16-14-27-26-13-12-25(47-22-46-2)20-24(26)19-23(30(27)28(32)21-29(35)31(32)48-50(43,44)45)11-8-6-4-3-5-7-9-17-49(41,42)18-10-15-33(36,37)34(38,39)40/h12-13,20,23,27-31H,3-11,14-19,21-22H2,1-2H3,(H,43,44,45)/t23-,27-,28+,29-,30-,31+,32+/m1/s1