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(8S,9S,11S,13S,14S,16R,17R)-16-bromanyl-11-ethoxy-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)

(8S,9S,11S,13S,14S,16R,17R)-16-bromanyl-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID B2bWrRtwvoD
InChI InChI=1S/C20H27BrO3/c1-3-24-17-10-20(2)15(9-16(21)19(20)23)14-6-4-11-8-12(22)5-7-13(11)18(14)17/h5,7-8,14-19,22-23H,3-4,6,9-10H2,1-2H3/t14-,15-,16+,17-,18+,19-,20-/m0/s1
InChIKey ZWWDDMUDPYJUBF-FLIUJYPFSA-N
Mol Weight 395.34 g/mol
Molecular Formula C20H27BrO3
Exact Mass 394.114358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsEgPEFZoGn
Name (8S,9S,11S,13S,14S,16R,17R)-16-bromanyl-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27BrO3
InChI InChI=1S/C20H27BrO3/c1-3-24-17-10-20(2)15(9-16(21)19(20)23)14-6-4-11-8-12(22)5-7-13(11)18(14)17/h5,7-8,14-19,22-23H,3-4,6,9-10H2,1-2H3/t14-,15-,16+,17-,18+,19-,20-/m0/s1
InChIKey ZWWDDMUDPYJUBF-FLIUJYPFSA-N
Molecular Weight 395.337 g/mol
SMILES O[C@]1([C@@](C[C@]2([C@@]3(CCc4c(ccc(c4)O)[C@]3([C@](C[C@]12C)(OCC)[H])[H])[H])[H])(Br)[H])[H]
SPLASH splash10-07vm-0389000000-685de7f38581c8b0edee
Source of Spectrum E1-36-268-6
Synonyms (8S,9S,11S,13S,14S,16R,17R)-16-bromo-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1574624