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(8R,9S,13S,14S,16S,17R)-16-bromanyl-2-fluoranyl-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)

(8R,9S,13S,14S,16S,17R)-16-bromanyl-2-fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 3M4DJZu4K3h
InChI InChI=1S/C18H22BrFO2/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/h6-7,10-11,13-14,17,21-22H,2-5,8H2,1H3/t10-,11+,13-,14-,17-,18-/m0/s1
InChIKey SUBDOAGRAWRWLA-PBEPODTISA-N
Mol Weight 369.27 g/mol
Molecular Formula C18H22BrFO2
Exact Mass 368.078721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmmTRZolAKh
Name (8R,9S,13S,14S,16S,17R)-16-bromanyl-2-fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22BrFO2
InChI InChI=1S/C18H22BrFO2/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/h6-7,10-11,13-14,17,21-22H,2-5,8H2,1H3/t10-,11+,13-,14-,17-,18-/m0/s1
InChIKey SUBDOAGRAWRWLA-PBEPODTISA-N
Molecular Weight 369.274 g/mol
SMILES O[C@]1([C@](C[C@]2([C@@]3(CCc4c(cc(c(c4)O)F)[C@]3(CC[C@]12C)[H])[H])[H])(Br)[H])[H]
SPLASH splash10-01b9-0019000000-552ecc679f3f3ceded31
Source of Spectrum E1-36-4261-9
Synonyms (8R,9S,13S,14S,16S,17R)-16-bromo-2-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1574874