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5-ALPHA,6-BETA-DIBROMO-17-OXA-ANDROSTANE-3-BETA-YL-HEXANOATE
SpectraBase Compound ID JhSThxZLZPY
InChI InChI=1S/C25H38Br2O3/c1-4-5-6-7-22(29)30-16-10-13-24(3)19-11-12-23(2)18(8-9-21(23)28)17(19)14-20(26)25(24,27)15-16/h16-20H,4-15H2,1-3H3/t16-,17-,18-,19-,20+,23-,24+,25-/m0/s1
InChIKey XKDBPWLCXGQVON-KCRRLQHISA-N
Mol Weight 546.4 g/mol
Molecular Formula C25H38Br2O3
Exact Mass 544.118771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwBtNqSutkK
Name 5-ALPHA,6-BETA-DIBROMO-17-OXA-ANDROSTANE-3-BETA-YL-HEXANOATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38Br2O3
InChI InChI=1S/C25H38Br2O3/c1-4-5-6-7-22(29)30-16-10-13-24(3)19-11-12-23(2)18(8-9-21(23)28)17(19)14-20(26)25(24,27)15-16/h16-20H,4-15H2,1-3H3/t16-,17-,18-,19-,20+,23-,24+,25-/m0/s1
InChIKey XKDBPWLCXGQVON-KCRRLQHISA-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 546.383 g/mol
Solvent CDCl3
Source File Reference UWLU78605