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2-FLUORO-3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-ON
SpectraBase Compound ID Wb8hBCaP2d
InChI InChI=1S/C18H21FO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1
InChIKey OOBHNUCKCZMLOG-JPVZDGGYSA-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 QiwfcpzVK9
Name (8R,9S,13S,14S)-2-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)-2-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/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1
InChIKey OOBHNUCKCZMLOG-JPVZDGGYSA-N
Molecular Weight 288.362 g/mol
SMILES Oc1c(cc2c(c1)CC[C@]1([C@@]3(CCC([C@@]3(C)CC[C@]21[H])=O)[H])[H])F
SPLASH splash10-000i-0190000000-5585f20c2013a1c34f7e
Source of Spectrum K-2002-661-8
Wiley ID 1580975