[4-[2-[(9R,10S,11S,13S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]carbonylphenyl]methoxy-oxidanyl-oxidanylidene-azanium

Systemtic Name: [4-[2-[(9R,10S,11S,13S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]carbonylphenyl]methoxy-oxidanyl-oxidanylidene-azanium Openeye Name: [4-[2-[(9R,10S,11S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]carbonylphenyl]methoxy-hydroxy-oxo-ammonium CAS Name: [4-[[2-[(9R,10S,11S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-oxomethyl]phenyl]methoxy-hydroxy-oxoammonium IUPAC Name: [4-[2-[(9R,10S,11S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylphenyl]methoxy-hydroxy-oxoazanium Traditional Name: [4-[2-[(9R,10S,11S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethoxy]carbonylbenzyl]oxy-hydroxy-keto-ammonium Formula: C30H35FNO9+ MolecularWeight: 572.598603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C5=CC=C(C=C5)CO[N+](=O)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)C5=CC=C(C=C5)CO[N+](=O)O)O)C)O)F)C

InChI

InChI=1S/C30H35FNO9/c1-17-12-23-22-9-8-20-13-21(33)10-11-27(20,2)29(22,31)24(34)14-28(23,3)30(17,37)25(35)16-40-26(36)19-6-4-18(5-7-19)15-41-32(38)39/h4-7,10-11,13,17,22-24,34,37H,8-9,12,14-16H2,1-3H3,(H,38,39)/q+1/t17-,22?,23?,24+,27+,28+,29+,30+/m1/s1