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(8R,9S,13S,14S,16R,17S)-16-bromanyl-2-fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

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(8R,9S,13S,14S,16R,17S)-16-bromanyl-2-fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 91ZPeysk0BN
InChI InChI=1S/C18H22BrFO2/c1-18-5-4-10-11(13(18)8-14(19)17(18)22)3-2-9-6-16(21)15(20)7-12(9)10/h6-7,10-11,13-14,17,21-22H,2-5,8H2,1H3/t10-,11+,13-,14+,17+,18-/m0/s1
InChIKey SUBDOAGRAWRWLA-HDSTXYHZSA-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 6O9uyj1DEcV
Name (8R,9S,13S,14S,16R,17S)-16-bromanyl-2-fluoranyl-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/c1-18-5-4-10-11(13(18)8-14(19)17(18)22)3-2-9-6-16(21)15(20)7-12(9)10/h6-7,10-11,13-14,17,21-22H,2-5,8H2,1H3/t10-,11+,13-,14+,17+,18-/m0/s1
InChIKey SUBDOAGRAWRWLA-HDSTXYHZSA-N
Molecular Weight 369.274 g/mol
SMILES Oc1c(cc2c(CC[C@]3([C@]4([C@@]([C@@]([C@@](C4)(Br)[H])(O)[H])(CC[C@]23[H])C)[H])[H])c1)F
SPLASH splash10-01b9-0029000000-3640ff603a48f23fe527
Source of Spectrum E1-36-4260-8
Synonyms (8R,9S,13S,14S,16R,17S)-16-bromo-2-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1574884