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

Systemtic Name: [2-[2-bromanyl-6-fluoranyl-10,13-dimethyl-16,17-bis(oxidanyl)-3-oxidanylidene-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-(2-bromo-6-fluoro-16,17-dihydroxy-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-(2-bromo-6-fluoro-16,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-6-fluoro-16,17-dihydroxy-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-(2-bromo-6-fluoro-16,17-dihydroxy-3-keto-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-keto-ethyl] ester Formula: C23H26BrFO6 MolecularWeight: 497.351343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C1(C(CC2C1(CC=C3C2CC(C4=CC(=O)C(=CC34C)Br)F)C)O)O

Isomeric SMILES

CC(=O)OCC(=O)C1(C(CC2C1(CC=C3C2CC(C4=CC(=O)C(=CC34C)Br)F)C)O)O

InChI

InChI=1S/C23H26BrFO6/c1-11(26)31-10-20(29)23(30)19(28)8-14-12-6-17(25)15-7-18(27)16(24)9-21(15,2)13(12)4-5-22(14,23)3/h4,7,9,12,14,17,19,28,30H,5-6,8,10H2,1-3H3