[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloranyl-17-(2-chloranylethanoyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 1-methylcyclopropane-1-carboxylate

Systemtic Name: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloranyl-17-(2-chloranylethanoyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 1-methylcyclopropane-1-carboxylate Openeye Name: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 1-methylcyclopropanecarboxylate CAS Name: 1-methyl-1-cyclopropanecarboxylic acid [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloro-1-oxoethyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 1-methylcyclopropane-1-carboxylate Traditional Name: 1-methylcyclopropanecarboxylic acid [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C27H34Cl2O5 MolecularWeight: 509.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5(CC5)C)C)O)Cl)C

Isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)C5(CC5)C)C)O)Cl)C

InChI

InChI=1S/C27H34Cl2O5/c1-15-11-19-18-6-5-16-12-17(30)7-8-24(16,3)26(18,29)20(31)13-25(19,4)27(15,21(32)14-28)34-22(33)23(2)9-10-23/h7-8,12,15,18-20,31H,5-6,9-11,13-14H2,1-4H3/t15-,18+,19+,20+,24+,25+,26+,27+/m1/s1