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(8R,9S,13S,14S,16R)-16-bromanyl-2-fluoranyl-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 NMR, and 1 MS (GC)

(8R,9S,13S,14S,16R)-16-bromanyl-2-fluoranyl-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID AVcUjGmDeSA
InChI InChI=1S/C18H20BrFO2/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/h6-7,10-11,13-14,21H,2-5,8H2,1H3/t10-,11+,13-,14+,18-/m0/s1
InChIKey DPLVOGDCNDQEJC-VYTKTZKISA-N
Mol Weight 367.26 g/mol
Molecular Formula C18H20BrFO2
Exact Mass 366.063071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4CGZUAScc7
Name (8R,9S,13S,14S,16R)-16-Bromanyl-2-fluoranyl-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[A]phenanthren-17-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.063071045 u
Formula C18H20BrFO2
InChI InChI=1S/C18H20BrFO2/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/h6-7,10-11,13-14,21H,2-5,8H2,1H3/t10-,11+,13-,14+,18-/m0/s1
InChIKey DPLVOGDCNDQEJC-VYTKTZKISA-N
Molecular Weight 367.258 g/mol
SMILES C=1(C(=CC2=C(C1)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)CC[C@]21[H])=O)(Br)[H])[H])[H])F)O