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19(S)-bromo-5-β,6-β-[(S)-bromomethylene]-17-β-(tert-butyl-dimethylsiloxy)-9-α,19-cyclo-10-α-androstan-3-one
SpectraBase Compound ID 8EdJUBaDV8R
InChI InChI=1S/C26H40Br2O2Si/c1-22(2,3)31(5,6)30-19-8-7-16-17-13-18-20(27)25(18)14-15(29)9-10-26(25)21(28)24(17,26)12-11-23(16,19)4/h16-21H,7-14H2,1-6H3/t16-,17-,18-,19-,20-,21+,23-,24-,25-,26+/m0/s1
InChIKey FKGKVQGHRYBIRU-PYAQKMBYSA-N
Mol Weight 572.5 g/mol
Molecular Formula C26H40Br2O2Si
Exact Mass 570.116433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvWeJLFVMV6
Name 19(S)-bromo-5-β,6-β-[(S)-bromomethylene]-17-β-(tert-butyl-dimethylsiloxy)-9-α,19-cyclo-10-α-androstan-3-one
Comments original value for tert.-Bu: 2.84 ppm changed to 28.4 ppm /sv/28.10.99
Compound Number 8D
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H40Br2O2Si/c1-22(2,3)31(5,6)30-19-8-7-16-17-13-18-20(27)25(18)14-15(29)9-10-26(25)21(28)24(17,26)12-11-23(16,19)4/h16-21H,7-14H2,1-6H3/t16-,17-,18-,19-,20-,21+,23-,24-,25-,26+/m0/s1
InChIKey FKGKVQGHRYBIRU-PYAQKMBYSA-N
Literature Reference J.F.TEMPLETON,Y.LING,W.LIN,R.J.PITURA,K.MARAT,J.N.BRIDSON J.CHEM.SOC.PERKIN-1,1149(1994)
Solvent Methanol-d4
Technique SELECTIVE DECOUPLING; C/H SHIFT CORRELATION