[2-[(6R,8S,10R,13S,14S,16S,17R)-2-bromanyl-6-fluoranyl-10,13,16-trimethyl-17-oxidanyl-3-oxidanylidene-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[(6R,8S,10R,13S,14S,16S,17R)-2-bromanyl-6-fluoranyl-10,13,16-trimethyl-17-oxidanyl-3-oxidanylidene-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(6R,8S,10R,13S,14S,16S,17R)-2-bromo-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(6R,8S,10R,13S,14S,16S,17R)-2-bromo-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(6R,8S,10R,13S,14S,16S,17R)-2-bromo-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(6R,8S,10R,13S,14S,16S,17R)-2-bromo-6-fluoro-17-hydroxy-3-keto-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C24H28BrFO5 MolecularWeight: 495.378523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C(=CC4(C3=CCC2(C1(C(=O)COC(=O)C)O)C)C)Br)F

Isomeric SMILES

C[C@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C(=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C)Br)F

InChI

InChI=1S/C24H28BrFO5/c1-12-7-16-14-8-19(26)17-9-20(28)18(25)10-22(17,3)15(14)5-6-23(16,4)24(12,30)21(29)11-31-13(2)27/h5,9-10,12,14,16,19,30H,6-8,11H2,1-4H3/t12-,14+,16-,19+,22+,23-,24-/m0/s1