O1-methyl O2-[(8S,9S,11S,13S,14S,17S)-13-methyl-3,17-bis(phenylmethoxy)-11-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl] ethanedioate

Systemtic Name: O1-methyl O2-[(8S,9S,11S,13S,14S,17S)-13-methyl-3,17-bis(phenylmethoxy)-11-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl] ethanedioate Openeye Name: O2-[(8S,9S,11S,13S,14S,17S)-3,17-dibenzyloxy-13-methyl-11-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl] O1-methyl oxalate CAS Name: oxalic acid O1-methyl ester O2-[(8S,9S,11S,13S,14S,17S)-13-methyl-3,17-bis(phenylmethoxy)-11-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl] ester IUPAC Name: 1-O-methyl 2-O-[(8S,9S,11S,13S,14S,17S)-13-methyl-3,17-bis(phenylmethoxy)-11-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl] oxalate Traditional Name: oxalic acid O2-[(8S,9S,11S,13S,14S,17S)-3,17-dibenzoxy-13-methyl-11-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl] ester O1-methyl ester Formula: C41H37F13O6 MolecularWeight: 872.708122

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2OCC4=CC=CC=C4)CCC5=C3C=CC(=C5)OCC6=CC=CC=C6)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(=O)OC

Isomeric SMILES

C[C@]12C[C@]([C@H]3[C@H]([C@@H]1CC[C@@H]2OCC4=CC=CC=C4)CCC5=C3C=CC(=C5)OCC6=CC=CC=C6)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(=O)OC

InChI

InChI=1S/C41H37F13O6/c1-34-22-35(60-33(56)32(55)57-2,36(42,43)37(44,45)38(46,47)39(48,49)40(50,51)41(52,53)54)31-27-16-14-26(58-20-23-9-5-3-6-10-23)19-25(27)13-15-28(31)29(34)17-18-30(34)59-21-24-11-7-4-8-12-24/h3-12,14,16,19,28-31H,13,15,17-18,20-22H2,1-2H3/t28-,29-,30-,31+,34-,35-/m0/s1