cyclopentane; (8R,9S,10R,13S,14S,17S)-17-(2-cyclopentylethynyl)-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; iron(2+)

Systemtic Name: cyclopentane; (8R,9S,10R,13S,14S,17S)-17-(2-cyclopentylethynyl)-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; iron(2+) Openeye Name: ferrous; cyclopentane; (8R,9S,10R,13S,14S,17S)-17-(2-cyclopentylethynyl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one CAS Name: cyclopentane; (8R,9S,10R,13S,14S,17S)-17-(2-cyclopentylethynyl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; iron(2+) IUPAC Name: cyclopentane; (8R,9S,10R,13S,14S,17S)-17-(2-cyclopentylethynyl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; iron(2+) Traditional Name: ferrous; cyclopentane; (8R,9S,10R,13S,14S,17S)-17-(2-cyclopentylethynyl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C31H36FeO2+2 MolecularWeight: 496.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C[C]5[CH][CH][CH][CH]5)O)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C[C]5[CH][CH][CH][CH]5)O)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C26H31O2.C5H5.Fe/c1-24-13-10-20(27)17-19(24)7-8-21-22(24)11-14-25(2)23(21)12-16-26(25,28)15-9-18-5-3-4-6-18;1-2-4-5-3-1;/h3-6,17,21-23,28H,7-8,10-14,16H2,1-2H3;1-5H;/q;;+2/t21-,22+,23+,24+,25+,26+;;/m1../s1