(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one; 5-(3-fluoranyl-5-nitro-phenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one

Systemtic Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one; 5-(3-fluoranyl-5-nitro-phenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one Openeye Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one; 5'-(3-fluoro-5-nitro-phenyl)spiro[cyclohexane-1,3'-indoline]-2'-one CAS Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one; 5-(3-fluoro-5-nitrophenyl)-2-spiro[1H-indole-3,1'-cyclohexane]one IUPAC Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one; 5-(3-fluoro-5-nitrophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one Traditional Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one; 5'-(3-fluoro-5-nitro-phenyl)spiro[cyclohexane-1,3'-indoline]-2'-one Formula: C40H45FN2O5 MolecularWeight: 652.794103

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34.C1CCC2(CC1)C3=C(C=CC(=C3)C4=CC(=CC(=C4)F)[N+](=O)[O-])NC2=O

Isomeric SMILES

CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34.C1CCC2(CC1)C3=C(C=CC(=C3)C4=CC(=CC(=C4)F)[N+](=O)[O-])NC2=O

InChI

InChI=1S/C21H28O2.C19H17FN2O3/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2;20-14-8-13(9-15(11-14)22(24)25)12-4-5-17-16(10-12)19(18(23)21-17)6-2-1-3-7-19/h2,13,16-19,23H,3,5-12H2,1H3;4-5,8-11H,1-3,6-7H2,(H,21,23)/t16-,17+,18+,19-,20-,21-;/m0./s1