DOMOIC-ACID
Compound with spectra: 2 NMR
| SpectraBase Compound ID | 294VNiVf39G |
|---|---|
| InChI | InChI=1S/C15H21NO6.ClH.2Na/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18;;;/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22);1H;;/q;;2*+1/p-2/b5-3+,8-4+;;;/t9?,10-,11+,13-;;;/m1.../s1 |
| InChIKey | LMBNMEBELRDVBN-PIZOQDMPSA-L |
| Mol Weight | 391.75853856 g/mol |
| Molecular Formula | C15H20ClNNa2O6 |
| Exact Mass | 391.077454 g/mol |
| Parent InChIKey | VZFRNCSOCOPNDB-COYQYCPDSA-L |
| Enantiomer InChIKey | LMBNMEBELRDVBN-OJZPNOSKSA-L |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | H2O;PKA2=4.47 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O;PKA2=4.56 |
VZFRNCSOCOPNDB-JIUSADRUSA-N
(2S,3S,4S)-3-(carboxymethyl)-4-[(1E,4E)-6-hydroxy-6-keto-1,5-dimethyl-hexa-1,4-dienyl]proline
OEHDXJSAUSRUGS-ZTRSIRBRSA-N
OEHDXJSAUSRUGS-IMGSDAQWSA-N
(2S,3S,4S)-2-Carboxy-4-(1-<4-hydroxy-4-methyl-pentyl>ethenyl)-3-pyrrolidiniumacetic acid, cation
Methyl r-2-tert-butoxycarbonyl-c-5-[3'-(1'',3''-Dioxolan-2''-yl)propyl]pyrrolidin-c-4-carboxylate
6-{[2-(4-methoxybenzoyl)hydrazino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
6-[(3-chloroanilino)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
(1SR,2SR,5RS,6SR)-2-(1-Hydroxy-1-methylethyl)-6-phenyl-3-azabicyclo[3.2.0]heptane
GARDENATE-A
| Title | Journal or Book | Year |
|---|---|---|
| NMR study of the protonation of domoic acid | Canadian Journal of Chemistry | 1992 |
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.