[(8R,9S,10R,13S,14S,17S)-2,2,7,7-tetrakis(bromanyl)-10,13-dimethyl-3,6-bis(oxidanylidene)-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(8R,9S,10R,13S,14S,17S)-2,2,7,7-tetrakis(bromanyl)-10,13-dimethyl-3,6-bis(oxidanylidene)-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(8R,9S,10R,13S,14S,17S)-2,2,7,7-tetrabromo-10,13-dimethyl-3,6-dioxo-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(8R,9S,10R,13S,14S,17S)-2,2,7,7-tetrabromo-10,13-dimethyl-3,6-dioxo-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,17S)-2,2,7,7-tetrabromo-10,13-dimethyl-3,6-dioxo-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(8R,9S,10R,13S,14S,17S)-2,2,7,7-tetrabromo-3,6-diketo-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C21H24Br4O4 MolecularWeight: 660.02886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2C(C(=O)C4=CC(=O)C(CC34C)(Br)Br)(Br)Br)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C(=O)C4=CC(=O)C(C[C@]34C)(Br)Br)(Br)Br)C

InChI

InChI=1S/C21H24Br4O4/c1-10(26)29-15-5-4-11-16-12(6-7-18(11,15)2)19(3)9-20(22,23)14(27)8-13(19)17(28)21(16,24)25/h8,11-12,15-16H,4-7,9H2,1-3H3/t11-,12-,15-,16-,18-,19+/m0/s1