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

Systemtic Name: methyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-9-chloranyl-17-(2-cyclohexylethanoyloxy)-6-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate Openeye Name: methyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-cyclohexylacetyl)oxy-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate CAS Name: (6S,8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-cyclohexyl-1-oxoethoxy)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester IUPAC Name: methyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-cyclohexylacetyl)oxy-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate Traditional Name: (6S,8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-cyclohexylacetyl)oxy-6-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester Formula: C30H40ClFO6 MolecularWeight: 551.086403

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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)CC5CCCCC5)C)O)Cl)C)F

Isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OC)OC(=O)CC5CCCCC5)C)O)Cl)C)F

InChI

InChI=1S/C30H40ClFO6/c1-17-12-20-21-15-23(32)22-14-19(33)10-11-27(22,2)29(21,31)24(34)16-28(20,3)30(17,26(36)37-4)38-25(35)13-18-8-6-5-7-9-18/h10-11,14,17-18,20-21,23-24,34H,5-9,12-13,15-16H2,1-4H3/t17-,20+,21+,23+,24+,27+,28+,29+,30+/m1/s1