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(8S,9S,11S,13S,14S,16S,17R)-16-bromanyl-4-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-4-fluoranyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID JVPfCucnKnO
InChI InChI=1S/C19H24BrFO3/c1-19-8-15(24-2)16-9-5-6-14(22)17(21)10(9)3-4-11(16)12(19)7-13(20)18(19)23/h5-6,11-13,15-16,18,22-23H,3-4,7-8H2,1-2H3/t11-,12-,13-,15-,16+,18-,19-/m0/s1
InChIKey PLGUUKZGPHNRMB-XWAMELEYSA-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 5d9o0BMlD9I
Name (8S,9S,11S,13S,14S,16S,17R)-16-bromanyl-4-fluoranyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24BrFO3
InChI InChI=1S/C19H24BrFO3/c1-19-8-15(24-2)16-9-5-6-14(22)17(21)10(9)3-4-11(16)12(19)7-13(20)18(19)23/h5-6,11-13,15-16,18,22-23H,3-4,7-8H2,1-2H3/t11-,12-,13-,15-,16+,18-,19-/m0/s1
InChIKey PLGUUKZGPHNRMB-XWAMELEYSA-N
Molecular Weight 399.300 g/mol
SMILES O[C@]1([C@](C[C@]2([C@@]3(CCc4c(ccc(c4F)O)[C@]3([C@](C[C@]12C)(OC)[H])[H])[H])[H])(Br)[H])[H]
SPLASH splash10-0j5j-0494300000-fd033e7929c60c273d0a
Source of Spectrum E1-36-4261-9
Synonyms (8S,9S,11S,13S,14S,16S,17R)-16-bromo-4-fluoro-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1574871