3-(7-azanyl-3-oxidanylidene-1H-isoindol-2-yl)piperidine-2,6-dione; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 3-(7-azanyl-3-oxidanylidene-1H-isoindol-2-yl)piperidine-2,6-dione; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Openeye Name: 3-(4-amino-1-oxo-isoindolin-2-yl)piperidine-2,6-dione; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one CAS Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Traditional Name: 3-(4-amino-1-keto-isoindolin-2-yl)piperidine-2,6-quinone; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Formula: C35H42FN3O8 MolecularWeight: 651.721683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N

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)O)C)O)F)C.C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N

InChI

InChI=1S/C22H29FO5.C13H13N3O3/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3;1-3,10H,4-6,14H2,(H,15,17,18)/t12-,15+,16+,17+,19+,20+,21+,22+;/m1./s1