[2-[(6R,8S,10R,13S,14S,17R)-2-bromanyl-6-fluoranyl-10,13-dimethyl-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,17R)-2-bromanyl-6-fluoranyl-10,13-dimethyl-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,17R)-2-bromo-6-fluoro-17-hydroxy-10,13-dimethyl-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,17R)-2-bromo-6-fluoro-17-hydroxy-10,13-dimethyl-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,17R)-2-bromo-6-fluoro-17-hydroxy-10,13-dimethyl-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,17R)-2-bromo-6-fluoro-17-hydroxy-3-keto-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C23H26BrFO5 MolecularWeight: 481.351943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C1(CCC2C1(CC=C3C2CC(C4=CC(=O)C(=CC34C)Br)F)C)O

Isomeric SMILES

CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2C[C@H](C4=CC(=O)C(=C[C@]34C)Br)F)C)O

InChI

InChI=1S/C23H26BrFO5/c1-12(26)30-11-20(28)23(29)7-5-15-13-8-18(25)16-9-19(27)17(24)10-21(16,2)14(13)4-6-22(15,23)3/h4,9-10,13,15,18,29H,5-8,11H2,1-3H3/t13-,15+,18-,21-,22+,23+/m1/s1