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3-BETA-((BROMOMERCURIO)-METHYL)-A,B-DINOR-5-BETA-CHOLESTANE-5-CARBALDEHYDE
SpectraBase Compound ID BUlyToctJZs
InChI InChI=1S/C27H45O.BrH.Hg/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-27(17-28)20(4)12-15-26(27,6)24(21)13-14-25(22,23)5;;/h17-24H,4,7-16H2,1-3,5-6H3;1H;/q;;+1/p-1/t19?,20-,21?,22?,23?,24?,25?,26+,27-;;/m0../s1
InChIKey AWWZOYSBLDPFPL-DEXQZNIFSA-M
Mol Weight 666.2 g/mol
Molecular Formula C27H45BrHgO
Exact Mass 666.236023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSld42qEU4L
Name 3-BETA-((BROMOMERCURIO)-METHYL)-A,B-DINOR-5-BETA-CHOLESTANE-5-CARBALDEHYDE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H45BrHgO
InChI InChI=1S/C27H45O.BrH.Hg/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-27(17-28)20(4)12-15-26(27,6)24(21)13-14-25(22,23)5;;/h17-24H,4,7-16H2,1-3,5-6H3;1H;/q;;+1/p-1/t19?,20-,21?,22?,23?,24?,25?,26+,27-;;/m0../s1
InChIKey AWWZOYSBLDPFPL-DEXQZNIFSA-M
Literature Reference Author P.KOCOVSKY,J.SROGL,M.POUR,A.GOGOLL
Literature Reference Citation J.AM.CHEM.SOC.,116,186(1994)
Literature Reference DOI 10.1021/ja00080a021
Molecular Weight 666.148 g/mol
Solvent CDCl3
Source File Reference UWRU6926