[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 3,3-dimethylbutanoate

Systemtic Name: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 3,3-dimethylbutanoate Openeye Name: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-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-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C28H39FO6 MolecularWeight: 490.604063

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)CC(C)(C)C)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@]1(C(=O)CO)OC(=O)CC(C)(C)C)C)O)F)C

InChI

InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(31)9-10-25(17,5)27(19,29)21(32)13-26(20,6)28(16,22(33)15-30)35-23(34)14-24(2,3)4/h9-10,12,16,19-21,30,32H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1