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

View entire compound with spectra: 1 MS (GC)

(8S,9S,11S,13S,14S,16S,17R)-16-bromanyl-2-fluoranyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID K93XVDSJA4a
InChI InChI=1S/C19H24BrFO3/c1-19-8-16(24-2)17-10(12(19)7-13(20)18(19)23)4-3-9-5-15(22)14(21)6-11(9)17/h5-6,10,12-13,16-18,22-23H,3-4,7-8H2,1-2H3/t10-,12-,13-,16-,17-,18-,19-/m0/s1
InChIKey DNYQSFWIPIHFQL-JBAPIDLCSA-N
Mol Weight 399.3 g/mol
Molecular Formula C19H24BrFO3
Exact Mass 398.089286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hqiZQ745v
Name (8S,9S,11S,13S,14S,16S,17R)-16-bromanyl-2-fluoranyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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Formula C19H24BrFO3
InChI InChI=1S/C19H24BrFO3/c1-19-8-16(24-2)17-10(12(19)7-13(20)18(19)23)4-3-9-5-15(22)14(21)6-11(9)17/h5-6,10,12-13,16-18,22-23H,3-4,7-8H2,1-2H3/t10-,12-,13-,16-,17-,18-,19-/m0/s1
InChIKey DNYQSFWIPIHFQL-JBAPIDLCSA-N
Molecular Weight 399.300 g/mol
SMILES O[C@]1([C@](C[C@]2([C@@]3(CCc4c(cc(c(c4)O)F)[C@]3([C@](C[C@]12C)(OC)[H])[H])[H])[H])(Br)[H])[H]
SPLASH splash10-0g4s-0594300000-c8e607ad93e5210645a5
Source of Spectrum E1-36-4261-9
Synonyms (8S,9S,11S,13S,14S,16S,17R)-16-bromo-2-fluoro-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1574872