(8S,9S,10R,13S,14S,17R)-1-fluoranyl-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione

Systemtic Name: (8S,9S,10R,13S,14S,17R)-1-fluoranyl-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione Openeye Name: (8S,9S,10R,13S,14S,17R)-1-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione CAS Name: (8S,9S,10R,13S,14S,17R)-1-fluoro-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione IUPAC Name: (8S,9S,10R,13S,14S,17R)-1-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione Traditional Name: (8S,9S,10R,13S,14S,17R)-1-fluoro-17-glycoloyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-quinone Formula: C21H27FO5 MolecularWeight: 378.434483

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)CC(C34C)F

Isomeric SMILES

C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)CC([C@]34C)F

InChI

InChI=1S/C21H27FO5/c1-19-9-15(25)18-13(14(19)5-6-21(19,27)17(26)10-23)4-3-11-7-12(24)8-16(22)20(11,18)2/h7,13-14,16,18,23,27H,3-6,8-10H2,1-2H3/t13-,14-,16?,18+,19-,20+,21-/m0/s1