methyl 2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-acetate CAS Name: 2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetate Traditional Name: 2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-acetic acid methyl ester Formula: C23H29FO5 MolecularWeight: 404.471763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)C(=O)OC)C)O)F)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@H]1C(=O)C(=O)OC)C)O)F)C

InChI

InChI=1S/C23H29FO5/c1-12-9-16-15-6-5-13-10-14(25)7-8-22(13,3)23(15,24)17(26)11-21(16,2)18(12)19(27)20(28)29-4/h7-8,10,12,15-18,26H,5-6,9,11H2,1-4H3/t12-,15+,16+,17+,18-,21+,22+,23+/m1/s1