[2-[(6R,8S,9S,10S,11R,13S,14S,16S,17R)-2-bromanyl-6-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[(6R,8S,9S,10S,11R,13S,14S,16S,17R)-2-bromanyl-6-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(6R,8S,9S,10S,11R,13S,14S,16S,17R)-2-bromo-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(6R,8S,9S,10S,11R,13S,14S,16S,17R)-2-bromo-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(6R,8S,9S,10S,11R,13S,14S,16S,17R)-2-bromo-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(6R,8S,9S,10S,11R,13S,14S,16S,17R)-2-bromo-6-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C24H30BrFO6 MolecularWeight: 513.393803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C(=CC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)O)C)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrFO6/c1-11-5-14-13-6-17(26)15-7-18(28)16(25)8-22(15,3)21(13)19(29)9-23(14,4)24(11,31)20(30)10-32-12(2)27/h7-8,11,13-14,17,19,21,29,31H,5-6,9-10H2,1-4H3/t11-,13-,14-,17+,19+,21+,22-,23-,24-/m0/s1