methylsulfanylmethyl 17-[2,2-bis(chloranyl)ethanoyloxy]-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate

Systemtic Name: methylsulfanylmethyl 17-[2,2-bis(chloranyl)ethanoyloxy]-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate Openeye Name: methylsulfanylmethyl 17-(2,2-dichloroacetyl)oxy-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate CAS Name: 17-(2,2-dichloro-1-oxoethoxy)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid (methylthio)methyl ester IUPAC Name: methylsulfanylmethyl 17-(2,2-dichloroacetyl)oxy-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate Traditional Name: 17-(2,2-dichloroacetyl)oxy-9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid (methylthio)methyl ester Formula: C25H31Cl2FO6S MolecularWeight: 549.479443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)OCSC)OC(=O)C(Cl)Cl)C)O)F)C

Isomeric SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)OCSC)OC(=O)C(Cl)Cl)C)O)F)C

InChI

InChI=1S/C25H31Cl2FO6S/c1-13-9-17-16-6-5-14-10-15(29)7-8-22(14,2)24(16,28)18(30)11-23(17,3)25(13,21(32)33-12-35-4)34-20(31)19(26)27/h7-8,10,13,16-19,30H,5-6,9,11-12H2,1-4H3