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3-BETA-(3-BROMOPROPANOYLOXY-PREGNA)-4,16-DIENE-6,20-DIONE
SpectraBase Compound ID 4R0qI6H5Bd9
InChI InChI=1S/C24H31BrO4/c1-14(26)17-4-5-18-16-13-21(27)20-12-15(29-22(28)8-11-25)6-9-24(20,3)19(16)7-10-23(17,18)2/h4,12,15-16,18-19H,5-11,13H2,1-3H3/t15-,16-,18-,19-,23+,24+/m0/s1
InChIKey DFQYAFHNOOAXMU-YCQJOBFMSA-N
Mol Weight 463.41 g/mol
Molecular Formula C24H31BrO4
Exact Mass 462.140572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16CdTbGpF9c
Name 3-BETA-(3-BROMOPROPANOYLOXY-PREGNA)-4,16-DIENE-6,20-DIONE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H31BrO4
InChI InChI=1S/C24H31BrO4/c1-14(26)17-4-5-18-16-13-21(27)20-12-15(29-22(28)8-11-25)6-9-24(20,3)19(16)7-10-23(17,18)2/h4,12,15-16,18-19H,5-11,13H2,1-3H3/t15-,16-,18-,19-,23+,24+/m0/s1
InChIKey DFQYAFHNOOAXMU-YCQJOBFMSA-N
Literature Reference Author E.BRATOEFF,M.CABEZA,V.PEREZ-ORNELAS,S.RECILLAS,I.HEUZE
Literature Reference Citation J.ST.BIO.MOL.BIOL.,111,275(2008)
Literature Reference DOI 10.1016/j.jsbmb.2008.06.014
Molecular Weight 463.412 g/mol
Solvent CDCl3
Source File Reference UWLU80614