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4-hydroxy-1-[(1S,2S)-2-(3-ketobutyl)-1,3,3-trimethyl-cyclohexyl]-4-methyl-hex-5-en-1-one
SpectraBase Compound ID C5pZKQLvB7M
InChI InChI=1S/C20H34O3/c1-7-19(5,23)14-11-17(22)20(6)13-8-12-18(3,4)16(20)10-9-15(2)21/h7,16,23H,1,8-14H2,2-6H3/t16-,19?,20-/m0/s1
InChIKey MIBOQXYKXXXWCG-LIXNJBPUSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJVcZ4a1DEz
Name 4-hydroxy-1-[(1S,2S)-2-(3-ketobutyl)-1,3,3-trimethyl-cyclohexyl]-4-methyl-hex-5-en-1-one
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-7-19(5,23)14-11-17(22)20(6)13-8-12-18(3,4)16(20)10-9-15(2)21/h7,16,23H,1,8-14H2,2-6H3/t16-,19?,20-/m0/s1
InChIKey MIBOQXYKXXXWCG-LIXNJBPUSA-N
Literature Reference Author F.NAGASHIMA,M.SUZUKI,S.TAKAOKA,Y.ASAKAWA
Literature Reference Citation CHEM.PHARM.BULL.,46,1184(1998)
Literature Reference DOI 10.1248/cpb.46.1184
Molecular Weight 322.488 g/mol
Solvent CDCl3
Source File Reference UWMS6589