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(8S,9S,11S,13S,14S,16R)-16-bromanyl-2-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-2-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 GZrGbgUONrF
InChI InChI=1S/C19H22BrFO3/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/h5-6,10,12-13,16-17,22H,3-4,7-8H2,1-2H3/t10-,12-,13+,16-,17-,19-/m0/s1
InChIKey UEDOJMMIDPXORV-BGZBWRAVSA-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 FfPydxcte9Z
Name (8S,9S,11S,13S,14S,16R)-16-bromanyl-2-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/c1-19-8-16(24-2)17-10(12(19)7-13(20)18(19)23)4-3-9-5-15(22)14(21)6-11(9)17/h5-6,10,12-13,16-17,22H,3-4,7-8H2,1-2H3/t10-,12-,13+,16-,17-,19-/m0/s1
InChIKey UEDOJMMIDPXORV-BGZBWRAVSA-N
Molecular Weight 397.284 g/mol
SMILES Oc1c(cc2c(c1)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)C[C@@]([C@]21[H])(OC)[H])=O)(Br)[H])[H])[H])F
SPLASH splash10-014s-0049000000-0b1cfc312c44cee06fcf
Source of Spectrum E1-36-4260-5
Synonyms (8S,9S,11S,13S,14S,16R)-16-bromo-2-fluoro-3-hydroxy-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Wiley ID 1574886