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(8R,9S,13S,14S,16S)-16-bromanyl-4-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 MS (GC)

(8R,9S,13S,14S,16S)-16-bromanyl-4-fluoranyl-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID GHBgZK6tuHp
InChI InChI=1S/C18H20BrFO2/c1-18-7-6-10-9-4-5-15(21)16(20)12(9)3-2-11(10)13(18)8-14(19)17(18)22/h4-5,10-11,13-14,21H,2-3,6-8H2,1H3/t10-,11-,13+,14+,18+/m1/s1
InChIKey HAXRBALGNDBFKB-MOITUIEZSA-N
Mol Weight 367.26 g/mol
Molecular Formula C18H20BrFO2
Exact Mass 366.063071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vGZ3sWAaKe
Name (8R,9S,13S,14S,16S)-16-bromanyl-4-fluoranyl-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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Formula C18H20BrFO2
InChI InChI=1S/C18H20BrFO2/c1-18-7-6-10-9-4-5-15(21)16(20)12(9)3-2-11(10)13(18)8-14(19)17(18)22/h4-5,10-11,13-14,21H,2-3,6-8H2,1H3/t10-,11-,13+,14+,18+/m1/s1
InChIKey HAXRBALGNDBFKB-MOITUIEZSA-N
Molecular Weight 367.258 g/mol
SMILES Oc1ccc2c(c1F)CC[C@]1([C@@]3(C[C@@](C([C@@]3(C)CC[C@]21[H])=O)(Br)[H])[H])[H]
SPLASH splash10-0159-0059000000-493e62f578f85e66fc63
Source of Spectrum E1-36-4260-6
Synonyms (8R,9S,13S,14S,16S)-16-bromo-4-fluoro-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Wiley ID 1574877