[(7R,8S,9S,10R,11S,13S,14S,17S)-11-fluoranyl-7,13-dimethyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] octanoate

Systemtic Name: [(7R,8S,9S,10R,11S,13S,14S,17S)-11-fluoranyl-7,13-dimethyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] octanoate Openeye Name: [(7R,8S,9S,10R,11S,13S,14S,17S)-11-fluoro-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] octanoate CAS Name: octanoic acid [(7R,8S,9S,10R,11S,13S,14S,17S)-11-fluoro-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(7R,8S,9S,10R,11S,13S,14S,17S)-11-fluoro-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] octanoate Traditional Name: caprylic acid [(7R,8S,9S,10R,11S,13S,14S,17S)-11-fluoro-3-keto-7,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C27H41FO3 MolecularWeight: 432.611043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CCC2C1(CC(C3C2C(CC4=CC(=O)CCC34)C)F)C

Isomeric SMILES

CCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@H]34)C)F)C

InChI

InChI=1S/C27H41FO3/c1-4-5-6-7-8-9-24(30)31-23-13-12-21-25-17(2)14-18-15-19(29)10-11-20(18)26(25)22(28)16-27(21,23)3/h15,17,20-23,25-26H,4-14,16H2,1-3H3/t17-,20+,21+,22+,23+,25+,26+,27+/m1/s1