(R)-3-HEXADECANOYL-5-HYDROXYMETHYL-TETRONIC-ACID-CALCIUM-SALT
Compound with spectra: 1 NMR
| SpectraBase Compound ID | ZxVso2bi2p |
|---|---|
| InChI | InChI=1S/2C21H36O5.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25;/h2*18,22,24H,2-16H2,1H3;/q;;+2/p-2/t2*18-;/m11./s1 |
| InChIKey | LNDPLBYJXMIJFP-ZMFXSWHNSA-L |
| Mol Weight | 775.1 g/mol |
| Molecular Formula | C42H70CaO10 |
| Exact Mass | 774.459489 g/mol |
| Parent InChIKey | KZTSLHQKWLYYAC-GOSISDBHSA-M |
| Enantiomer InChIKey | LNDPLBYJXMIJFP-IJBYHFJWSA-L |
| Racemate InChIKey | LNDPLBYJXMIJFP-UHFFFAOYSA-L |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
(R)-3-HEXADECANOYL-5-HYDROXYMETHYL-TETRONIC-ACID
ZOJRJEPAMBPUAN-UHFFFAOYSA-M
UKNVHXDESACWBU-UHFFFAOYSA-M
DSDAMOAPKPOQTP-UHFFFAOYSA-M
MUTUEFLRUROBSC-UHFFFAOYSA-N
3-(2-Phenyl-acetyl)-5-methyl-tetronic acid
DCZYUYAUNKXDOP-UHFFFAOYSA-N
(E)-3-[HEXADEC-7-(Z)-ENYL]-4-HYDROXY-5-METHOXY-5-METHYLFURAN-2(5H)-ONE
2-Cyclohexen-1-one, 3-hydroxy-2-(tetrahydro-2H-pyran-2-yl)-
3,6-BETA-DIHYDROXY-2-(13-PHENYLTRIDECANOYL)-2-CYCLOHEXEN-1-ONE
| Title | Journal or Book | Year |
|---|---|---|
| Asymmetric Synthesis of a 3-Acyltetronic Acid Derivative, RK-682, and Formation of Its Calcium Salt during Silica Gel Column Chromatography. | Chemical and Pharmaceutical Bulletin | 2001 |
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.