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5-ALPHA,6-BETA-DIBROMO-17-OXA-ANDROSTANE-3-BETA-YL-PROPANOATE
SpectraBase Compound ID X3WWu2B2x1
InChI InChI=1S/C22H32Br2O3/c1-4-19(26)27-13-7-10-21(3)16-8-9-20(2)15(5-6-18(20)25)14(16)11-17(23)22(21,24)12-13/h13-17H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,20-,21+,22-/m0/s1
InChIKey KMVKNSVQIJEVEL-GPHVRIQWSA-N
Mol Weight 504.3 g/mol
Molecular Formula C22H32Br2O3
Exact Mass 502.071821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WeaJECdmnd
Name 5-ALPHA,6-BETA-DIBROMO-17-OXA-ANDROSTANE-3-BETA-YL-PROPANOATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32Br2O3
InChI InChI=1S/C22H32Br2O3/c1-4-19(26)27-13-7-10-21(3)16-8-9-20(2)15(5-6-18(20)25)14(16)11-17(23)22(21,24)12-13/h13-17H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,20-,21+,22-/m0/s1
InChIKey KMVKNSVQIJEVEL-GPHVRIQWSA-N
Literature Reference Author M.GARRIDO,E.BRATOEFF,D.BONILLA,J.SORIANO,Y.HEUZE,M.CABEZA
Literature Reference Citation J.ST.BIO.MOL.BIOL.,127,367(2011)
Literature Reference DOI 10.1016/j.jsbmb.2011.07.001
Molecular Weight 504.302 g/mol
Solvent CDCl3
Source File Reference UWLU78602