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(8S,9S,11S,13S,14S,16R)-16-bromanyl-4-fluoranyl-11-methoxy-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

View entire compound with spectra: 1 MS (GC)

(8S,9S,11S,13S,14S,16R)-16-bromanyl-4-fluoranyl-11-methoxy-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 81cF7dj0Z4Y
InChI InChI=1S/C19H22BrFO3/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/h5-6,11-13,15-16,22H,3-4,7-8H2,1-2H3/t11-,12-,13+,15-,16+,19-/m0/s1
InChIKey LYFCQVCUUAFTFI-SHHRRUDISA-N
Mol Weight 397.28 g/mol
Molecular Formula C19H22BrFO3
Exact Mass 396.073636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jGfai1IkmN
Name (8S,9S,11S,13S,14S,16R)-16-bromanyl-4-fluoranyl-11-methoxy-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22BrFO3
InChI InChI=1S/C19H22BrFO3/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/h5-6,11-13,15-16,22H,3-4,7-8H2,1-2H3/t11-,12-,13+,15-,16+,19-/m0/s1
InChIKey LYFCQVCUUAFTFI-SHHRRUDISA-N
Molecular Weight 397.284 g/mol
SMILES Oc1ccc2c(c1F)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)C[C@@]([C@]21[H])(OC)[H])=O)(Br)[H])[H])[H]
SPLASH splash10-014s-0049000000-73a21449798e3e46c03f
Source of Spectrum E1-36-4260-5
Synonyms (8S,9S,11S,13S,14S,16R)-16-bromo-4-fluoro-3-hydroxy-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Wiley ID 1574885