D-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
Compound with spectra: 7 NMR, and 1 FTIR
| SpectraBase Compound ID | CjDAp5YGgQS |
|---|---|
| InChI | InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1 |
| InChIKey | AAWZDTNXLSGCEK-WYWMIBKRSA-N |
| Mol Weight | 192.17 g/mol |
| Molecular Formula | C7H12O6 |
| Exact Mass | 192.063388 g/mol |
| Enantiomer InChIKey | AAWZDTNXLSGCEK-DRMQKGJZSA-N |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | E. Merck AG, Darmstadt, Germany |
| Solvent | Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | C. J. Kelley, R. C. Harruff, M. Carmack J. Org. Chem. 41, 449(1976) |
| Solvent | Deuterium oxide; Reference=Dioxane; Temperature=Ambient Spectrometer= Not Reported |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | D2O |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | E. MERCK AG, DARMSTADT, GERMANY |
| Technique | KBr WAFER |
- QUINIC ACID
- (1R,3R,4S,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID;FLUKA
- (1R,3R,4S,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID
- 1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid
- CYCLOHEXANECARBOXYLIC ACID, D-1,3,4,5-TETRAHYDROXY-,
- CYCLOHEXANECARBOXYLIC ACID, 1,3,4,5-TETRAHYDROXY-,
1-ALPHA,3-ALPHA,4-ALPHA,5-BETA-TETRAHYDROXYCYCLOHEXANE-1-BETA-METHYLACETATE
(1R,3S,4S)-4-hydroxy-3-methoxy-1-cyclohexanecarboxylic acid methyl ester
3-CIS,4-TRANS-METHYL-4-HYDROXY-3-METHOXYCYClOHEXANECARBOXYLATE
3-TRANS,4-CIS-METHYL-4-HYDROXY-3-METHOXYCYClOHEXANECARBOXYLATE
3-CIS,4-CIS-METHYL-4-HYDROXY-3-METHOXYCYClOHEXANECARBOXYLATE
(2R,3S)-2,3-DIHYDROXY-2-(2-METHYLPROPYL)-BUTANEDIOIC-ACID
(3R)-trans-3-Hydroxy-5-hydroxymethyl-tetrahydrofuran-3-carboxylic acid, methyl ester
| Title | Journal or Book | Year |
|---|---|---|
| Complex mixture analysis of organic compounds in green coffee bean extract by two-dimensional NMR spectroscopy | Magnetic Resonance in Chemistry | 2010 |
| Análises quali- e quantitativa de cafés comerciais via ressonância magnética nuclear | Química Nova | 2006 |
| Studies Directed Towards the Biosynthesis of the C7N Unit of Rifamycin B: A New Synthesis of Quinic Acid from Shikimic Acid | Helvetica Chimica Acta | 1991 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
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