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5-ACETYL-3-BETA-[(BROMOMERCURIO)-METHYL]-A,B-BISNOR-5-BETA-CHOLESTANE
SpectraBase Compound ID 6RShYg8jKUh
InChI InChI=1S/C28H47O.BrH.Hg/c1-18(2)9-8-10-19(3)23-11-12-24-22-17-28(21(5)29)20(4)13-16-27(28,7)25(22)14-15-26(23,24)6;;/h18-20,22-25H,4,8-17H2,1-3,5-7H3;1H;/q;;+1/p-1/t19-,20+,22+,23-,24+,25+,26-,27-,28-;;/m1../s1
InChIKey CDEMFGOSSOMTPE-QGBVYRLZSA-M
Mol Weight 680.2 g/mol
Molecular Formula C28H47BrHgO
Exact Mass 680.251673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5YRe15ZsbSu
Name 5-ACETYL-3-BETA-[(BROMOMERCURIO)-METHYL]-A,B-BISNOR-5-BETA-CHOLESTANE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H47BrHgO
InChI InChI=1S/C28H47O.BrH.Hg/c1-18(2)9-8-10-19(3)23-11-12-24-22-17-28(21(5)29)20(4)13-16-27(28,7)25(22)14-15-26(23,24)6;;/h18-20,22-25H,4,8-17H2,1-3,5-7H3;1H;/q;;+1/p-1/t19-,20+,22+,23-,24+,25+,26-,27-,28-;;/m1../s1
InChIKey CDEMFGOSSOMTPE-QGBVYRLZSA-M
Literature Reference Author P.KOCOVSKY,V.DUNN,A.GOGOLL,V.LANGER
Literature Reference Citation J.ORG.CHEM.,64,101(1999)
Literature Reference DOI 10.1021/jo9812882
Molecular Weight 680.175 g/mol
Sample ID 39145
Solvent CDCl3