DOMOIC-ACID
Compound with spectra: 2 NMR
| SpectraBase Compound ID | 1DycuP1XkJj |
|---|---|
| InChI | InChI=1S/C15H21NO6.ClH.3Na/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;;3*+1/p-3/b5-3+,8-4+;;;;/t9?,10-,11+,13-;;;;/m1..../s1 |
| InChIKey | FGAVOCCGFOEWLO-RKLFDXGFSA-K |
| Mol Weight | 413.74030785 g/mol |
| Molecular Formula | C15H19ClNNa3O6 |
| Exact Mass | 413.059398 g/mol |
| Parent InChIKey | VZFRNCSOCOPNDB-COYQYCPDSA-K |
| Enantiomer InChIKey | FGAVOCCGFOEWLO-JVWLIYQBSA-K |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | H2O;PKA3=4.77 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O;PKA3=4.91 |
VZFRNCSOCOPNDB-JIUSADRUSA-N
(2S,3S,4S)-3-(carboxymethyl)-4-[(1E,4E)-6-hydroxy-6-keto-1,5-dimethyl-hexa-1,4-dienyl]proline
OEHDXJSAUSRUGS-IMGSDAQWSA-N
OEHDXJSAUSRUGS-ZTRSIRBRSA-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
GARDENATE-A
3-cyclohexene-1-carboxylic acid, 6-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]-3,4-dimethyl-
| Title | Journal or Book | Year |
|---|---|---|
| NMR study of the protonation of domoic acid | Canadian Journal of Chemistry | 1992 |
This compound is available in the following databases:
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.