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(8R,9S,13S,14S,16R)-16-fluoranyl-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID LY8XljIuWfj
InChI InChI=1S/C18H21FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-16,20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1
InChIKey QRGWGROTAFIJLR-QFXBJFAPSA-N
Mol Weight 288.36 g/mol
Molecular Formula C18H21FO2
Exact Mass 288.152558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2zUSxY3tYT
Name (8R,9S,13S,14S,16R)-16-fluoranyl-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Alternate Name(s) (8R,9S,13S,14S,16R)-16-fluoro-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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Formula C18H21FO2
InChI InChI=1S/C18H21FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-16,20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1
InChIKey QRGWGROTAFIJLR-QFXBJFAPSA-N
Molecular Weight 288.362 g/mol
SMILES Oc1ccc2c(c1)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)CC[C@]21[H])=O)(F)[H])[H])[H]
SPLASH splash10-000i-0390000000-0e5e00e1ae7f9be0c46c
Source of Spectrum K-2002-660-4
Wiley ID 1580983