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6-(9-O-BETA-D-GLUCOPYRANOSYL)-HYDROXYBUTYL-1,5-DIMETHYL-4-CYCLOHEXEN-3-ONE-1-CARBOXYLIC-ACID
SpectraBase Compound ID 8eUbGGhyEbJ
InChI InChI=1S/C19H30O9/c1-9-6-11(21)7-19(3,18(25)26)12(9)5-4-10(2)27-17-16(24)15(23)14(22)13(8-20)28-17/h6,10,12-17,20,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t10?,12?,13-,14-,15+,16-,17-,19?/m1/s1
InChIKey CTEVPQFAPGWEET-JWEJHNBTSA-N
Mol Weight 402.44 g/mol
Molecular Formula C19H30O9
Exact Mass 402.188983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLYus3FKDNN
Name 6-(9-O-BETA-D-GLUCOPYRANOSYL)-HYDROXYBUTYL-1,5-DIMETHYL-4-CYCLOHEXEN-3-ONE-1-CARBOXYLIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H30O9
InChI InChI=1S/C19H30O9/c1-9-6-11(21)7-19(3,18(25)26)12(9)5-4-10(2)27-17-16(24)15(23)14(22)13(8-20)28-17/h6,10,12-17,20,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t10?,12?,13-,14-,15+,16-,17-,19?/m1/s1
InChIKey CTEVPQFAPGWEET-JWEJHNBTSA-N
Literature Reference Author W.MAIER,J.SCHMIDT,M.NIMTZ,V.WRAY,D.STRACK
Literature Reference Citation PHYTOCHEM.,54,473(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00047-9
Molecular Weight 402.442 g/mol
Solvent CD3OD
Source File Reference UWLU1320