(8R,9S,13S,14S)-3-[tert-butyl(dimethyl)silyl]oxy-17-(2-cyclopentylethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol; cyclopentane; iron(2+)

Systemtic Name: (8R,9S,13S,14S)-3-[tert-butyl(dimethyl)silyl]oxy-17-(2-cyclopentylethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol; cyclopentane; iron(2+) Openeye Name: ferrous; (8R,9S,13S,14S)-3-[tert-butyl(dimethyl)silyl]oxy-17-(2-cyclopentylethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol; cyclopentane CAS Name: (8R,9S,13S,14S)-3-[tert-butyl(dimethyl)silyl]oxy-17-(2-cyclopentylethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol; cyclopentane; iron(2+) IUPAC Name: (8R,9S,13S,14S)-3-[tert-butyl(dimethyl)silyl]oxy-17-(2-cyclopentylethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol; cyclopentane; iron(2+) Traditional Name: ferrous; (8R,9S,13S,14S)-3-[tert-butyl(dimethyl)silyl]oxy-17-(2-cyclopentylethynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol; cyclopentane Formula: C36H46FeO2Si+2 MolecularWeight: 594.67974

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#C[C]4[CH][CH][CH][CH]4)O)CCC5=C3C=CC(=C5)O[Si](C)(C)C(C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C[C]4[CH][CH][CH][CH]4)O)CCC5=C3C=CC(=C5)O[Si](C)(C)C(C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C31H41O2Si.C5H5.Fe/c1-29(2,3)34(5,6)33-24-12-14-25-23(21-24)11-13-27-26(25)16-18-30(4)28(27)17-20-31(30,32)19-15-22-9-7-8-10-22;1-2-4-5-3-1;/h7-10,12,14,21,26-28,32H,11,13,16-18,20H2,1-6H3;1-5H;/q;;+2/t26-,27-,28+,30+,31?;;/m1../s1