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17-ALPHA-(PARA-BROMOBENZOYLOXY)-6-METHYLENE-PREGN-4-ENE-3,20-DIONE
SpectraBase Compound ID 4BnXLA0uqDE
InChI InChI=1S/C29H33BrO4/c1-17-15-22-23(27(3)12-9-21(32)16-25(17)27)10-13-28(4)24(22)11-14-29(28,18(2)31)34-26(33)19-5-7-20(30)8-6-19/h5-8,16,22-24H,1,9-15H2,2-4H3/t22-,23+,24+,27-,28+,29+/m1/s1
InChIKey LXRGZXTTYBFNEO-HSMRERNISA-N
Mol Weight 525.5 g/mol
Molecular Formula C29H33BrO4
Exact Mass 524.156223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hta5IMFPSUF
Name 17-ALPHA-(PARA-BROMOBENZOYLOXY)-6-METHYLENE-PREGN-4-ENE-3,20-DIONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33BrO4
InChI InChI=1S/C29H33BrO4/c1-17-15-22-23(27(3)12-9-21(32)16-25(17)27)10-13-28(4)24(22)11-14-29(28,18(2)31)34-26(33)19-5-7-20(30)8-6-19/h5-8,16,22-24H,1,9-15H2,2-4H3/t22-,23+,24+,27-,28+,29+/m1/s1
InChIKey LXRGZXTTYBFNEO-HSMRERNISA-N
Literature Reference Author E.BRATOEFF,E.RAMIREZ,E.FLORES,N.VALENCIA,M.SANCHEZ,I.HEUZE,M .CABEZA
Literature Reference Citation CHEM.PHARM.BULL.,51,1132(2003)
Literature Reference DOI 10.1248/cpb.51.1132
Molecular Weight 525.483 g/mol
Solvent CDCl3
Source File Reference UWLU20323