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(1S,4S,6S)-1-[3-HYDROXY-BUT-(1E)-ENYL]-2,2,6-TRIMETHYL-CYCLOHEXANE-1,4-DIOL;(3S,5S,6S,9R)-3,6-DIHYDROXY-5,6-DIHYDRO-BETA-IONOL

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(1S,4S,6S)-1-[3-HYDROXY-BUT-(1E)-ENYL]-2,2,6-TRIMETHYL-CYCLOHEXANE-1,4-DIOL;(3S,5S,6S,9R)-3,6-DIHYDROXY-5,6-DIHYDRO-BETA-IONOL
SpectraBase Compound ID 2sUStK1hmNv
InChI InChI=1S/C13H24O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-11,14-16H,7-8H2,1-4H3/b6-5+/t9-,10+,11-,13-/m0/s1
InChIKey OJGKTHCXUFNMIQ-CGKMUUMWSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4upejDTe4F5
Name (1S,4S,6S)-1-[3-HYDROXY-BUT-(1E)-ENYL]-2,2,6-TRIMETHYL-CYCLOHEXANE-1,4-DIOL;(3S,5S,6S,9R)-3,6-DIHYDROXY-5,6-DIHYDRO-BETA-IONOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-11,14-16H,7-8H2,1-4H3/b6-5+/t9-,10+,11-,13-/m0/s1
InChIKey OJGKTHCXUFNMIQ-CGKMUUMWSA-N
Literature Reference Author L.S.LIMA,M.V.B.LIMA,J.P.DAVID,A.M.GIULIETTI,L.P.D.QUIROZ,J.M .DAVID
Literature Reference Citation J.BRAZ.CHEM.SOC.,20,1921(2009)
Literature Reference DOI 10.1590/s0103-50532009001000022
Molecular Weight 228.332 g/mol
Source File Reference UWBT6282