[(6S,9R,10S,11S,13S,16R,17R)-9-chloranyl-6-fluoranyl-17-methoxycarbonyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pyridine-2-carboxylate

Systemtic Name: [(6S,9R,10S,11S,13S,16R,17R)-9-chloranyl-6-fluoranyl-17-methoxycarbonyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pyridine-2-carboxylate Openeye Name: [(6S,9R,10S,11S,13S,16R,17R)-9-chloro-6-fluoro-11-hydroxy-17-methoxycarbonyl-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [(6S,9R,10S,11S,13S,16R,17R)-9-chloro-6-fluoro-11-hydroxy-17-methoxycarbonyl-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(6S,9R,10S,11S,13S,16R,17R)-9-chloro-6-fluoro-11-hydroxy-17-methoxycarbonyl-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [(6S,9R,10S,11S,13S,16R,17R)-17-carbomethoxy-9-chloro-6-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C28H31ClFNO6 MolecularWeight: 532.000243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)OC)OC(=O)C5=CC=CC=N5)C)O)Cl)C)F

Isomeric SMILES

C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OC)OC(=O)C5=CC=CC=N5)C)O)Cl)C)F

InChI

InChI=1S/C28H31ClFNO6/c1-15-11-17-18-13-20(30)19-12-16(32)8-9-25(19,2)27(18,29)22(33)14-26(17,3)28(15,24(35)36-4)37-23(34)21-7-5-6-10-31-21/h5-10,12,15,17-18,20,22,33H,11,13-14H2,1-4H3/t15-,17?,18?,20+,22+,25+,26+,27+,28+/m1/s1