[(9R,10S,11S,13S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-17-[2-[2-(4-nitrooxybutanoylamino)ethanoyloxy]ethanoyl]-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate

Systemtic Name: [(9R,10S,11S,13S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-17-[2-[2-(4-nitrooxybutanoylamino)ethanoyloxy]ethanoyl]-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate Openeye Name: [(9R,10S,11S,13S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[2-[2-(4-nitrooxybutanoylamino)acetyl]oxyacetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [(9R,10S,11S,13S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[2-[2-[(4-nitrooxy-1-oxobutyl)amino]-1-oxoethoxy]-1-oxoethyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(9R,10S,11S,13S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[2-[2-(4-nitrooxybutanoylamino)acetyl]oxyacetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [(9R,10S,11S,13S,16S,17R)-9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-17-[2-[2-(4-nitrooxybutanoylamino)acetyl]oxyacetyl]-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C32H42FN3O14 MolecularWeight: 711.685983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)CNC(=O)CCCO[N+](=O)[O-])OC(=O)CCCO[N+](=O)[O-])C)O)F)C

Isomeric SMILES

C[C@H]1CC2C3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)CNC(=O)CCCO[N+](=O)[O-])OC(=O)CCCO[N+](=O)[O-])C)O)F)C

InChI

InChI=1S/C32H42FN3O14/c1-19-14-23-22-9-8-20-15-21(37)10-11-29(20,2)31(22,33)24(38)16-30(23,3)32(19,50-27(41)7-5-13-49-36(45)46)25(39)18-47-28(42)17-34-26(40)6-4-12-48-35(43)44/h10-11,15,19,22-24,38H,4-9,12-14,16-18H2,1-3H3,(H,34,40)/t19-,22?,23?,24-,29-,30-,31-,32-/m0/s1