11-[[[[17-[chloromethyl(dimethyl)silyl]oxy-17-cyano-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl]methyl-dimethyl-silyl]oxyperoxy-dimethyl-silyl]methyl]-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile

Systemtic Name: 11-[[[[17-[chloromethyl(dimethyl)silyl]oxy-17-cyano-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl]methyl-dimethyl-silyl]oxyperoxy-dimethyl-silyl]methyl]-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile Openeye Name: 11-[[[[17-[chloromethyl(dimethyl)silyl]oxy-17-cyano-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl]methyl-dimethyl-silyl]oxyperoxy-dimethyl-silyl]methyl]-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile CAS Name: 11-[[[[17-[chloromethyl(dimethyl)silyl]oxy-17-cyano-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl]methyl-dimethylsilyl]oxydioxy-dimethylsilyl]methyl]-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile IUPAC Name: 11-[[[[17-[chloromethyl(dimethyl)silyl]oxy-17-cyano-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl]methyl-dimethylsilyl]oxyperoxy-dimethylsilyl]methyl]-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile Traditional Name: 11-[[[[17-[chloromethyl(dimethyl)silyl]oxy-17-cyano-11-hydroxy-3-keto-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl]methyl-dimethyl-silyl]oxyperoxy-dimethyl-silyl]methyl]-11,17-dihydroxy-3-keto-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile Formula: C49H71ClN2O9Si3 MolecularWeight: 951.80554

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2(C#N)O)CCC4=CC(=O)C=CC34C)(C[Si](C)(C)OOO[Si](C)(C)CC5(CC6(C(CCC6(C#N)O[Si](C)(C)CCl)C7C5C8(C=CC(=O)C=C8CC7)C)C)O)O

Isomeric SMILES

CC12CC(C3C(C1CCC2(C#N)O)CCC4=CC(=O)C=CC34C)(C[Si](C)(C)OOO[Si](C)(C)CC5(CC6(C(CCC6(C#N)O[Si](C)(C)CCl)C7C5C8(C=CC(=O)C=C8CC7)C)C)O)O

InChI

InChI=1S/C49H71ClN2O9Si3/c1-42-19-15-34(53)23-32(42)11-13-36-38-17-21-48(57,27-51)44(38,3)25-46(55,40(36)42)29-62(5,6)60-59-61-63(7,8)30-47(56)26-45(4)39(18-22-49(45,28-52)58-64(9,10)31-50)37-14-12-33-24-35(54)16-20-43(33,2)41(37)47/h15-16,19-20,23-24,36-41,55-57H,11-14,17-18,21-22,25-26,29-31H2,1-10H3