[2-[(6S,10R,11S,13S,16R,17R)-6-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] (2S)-5-oxidanylidenepyrrolidine-2-carboxylate

Systemtic Name: [2-[(6S,10R,11S,13S,16R,17R)-6-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] (2S)-5-oxidanylidenepyrrolidine-2-carboxylate Openeye Name: [2-[(6S,10R,11S,13S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] (2S)-5-oxopyrrolidine-2-carboxylate CAS Name: (2S)-5-oxo-2-pyrrolidinecarboxylic acid [2-[(6S,10R,11S,13S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(6S,10R,11S,13S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] (2S)-5-oxopyrrolidine-2-carboxylate Traditional Name: (2S)-5-ketopyrrolidine-2-carboxylic acid [2-[(6S,10R,11S,13S,16R,17R)-6-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C27H34FNO7 MolecularWeight: 503.559763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)COC(=O)C5CCC(=O)N5)O)C)O)C)F

Isomeric SMILES

C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4(C3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)[C@@H]5CCC(=O)N5)O)C)O)C)F

InChI

InChI=1S/C27H34FNO7/c1-13-8-16-15-10-18(28)17-9-14(30)6-7-25(17,2)23(15)20(31)11-26(16,3)27(13,35)21(32)12-36-24(34)19-4-5-22(33)29-19/h6-7,9,13,15-16,18-20,23,31,35H,4-5,8,10-12H2,1-3H3,(H,29,33)/t13-,15?,16?,18+,19+,20+,23?,25+,26+,27+/m1/s1