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(8R,9S,13S,14S,16S,17R)-16-bromanyl-4-fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 6CMNVZEIqg5
InChI InChI=1S/C18H22BrFO2/c1-18-7-6-10-9-4-5-15(21)16(20)12(9)3-2-11(10)13(18)8-14(19)17(18)22/h4-5,10-11,13-14,17,21-22H,2-3,6-8H2,1H3/t10-,11-,13+,14+,17+,18+/m1/s1
InChIKey OVJBNDOTRHPBHK-JAFRYSFCSA-N
Mol Weight 369.27 g/mol
Molecular Formula C18H22BrFO2
Exact Mass 368.078721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbeYDjobUYM
Name (8R,9S,13S,14S,16S,17R)-16-bromanyl-4-fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Alternate Name(s) (8R,9S,13S,14S,16S,17R)-16-bromo-4-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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Formula C18H22BrFO2
InChI InChI=1S/C18H22BrFO2/c1-18-7-6-10-9-4-5-15(21)16(20)12(9)3-2-11(10)13(18)8-14(19)17(18)22/h4-5,10-11,13-14,17,21-22H,2-3,6-8H2,1H3/t10-,11-,13+,14+,17+,18+/m1/s1
InChIKey OVJBNDOTRHPBHK-JAFRYSFCSA-N
Molecular Weight 369.274 g/mol
SMILES O[C@]1([C@](C[C@]2([C@@]3(CCc4c(ccc(c4F)O)[C@]3(CC[C@]12C)[H])[H])[H])(Br)[H])[H]
SPLASH splash10-014i-0091000000-f7acf1ab6c084983009e
Source of Spectrum E1-36-4261-9
Wiley ID 1574873