SCOPOLIN
Compound with spectra: 3 NMR
| SpectraBase Compound ID | GQX2lv9hBIr |
|---|---|
| InChI | InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m0/s1 |
| InChIKey | SGTCGCCQZOUMJJ-SLZITWOASA-N |
| Mol Weight | 354.31 g/mol |
| Molecular Formula | C16H18O9 |
| Exact Mass | 354.095082 g/mol |
| Enantiomer InChIKey | SGTCGCCQZOUMJJ-YMILTQATSA-N |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|
| 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 | CD3OD |
PRIONANTHOSIDE;6-HYDROXY,7-[(6'-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-OXY]-COUMARIN
PHELLODENSIN_E
ERYTHRO-1,2-BIS-(4-HYDROXY-3-METHOXYPHENYL)-1,3-PROPANEDIOL-4'-O-BETA-D-GLUCOPYRANOSIDE
1-O-(7S,8R)-GUAIACYLGLYCEROL-(6-O-(E)-CAFFEOYL)-BETA-D-GLUCOPYRANOSIDE
STYRAXLIGNOLIDE-C;(2S,3S)-2-ALPHA-(3''-HYDROXY-4''-METHOXYBENZYL)-3-BETA-(4'-HYDROXY-3'-METHOXYBENZYL)-GAMMA-BUTYROLACTONE-4'-O-(BETA-D-GLUCOPYRANO
DAPHNETIN-8-O-BETA-D-GLUCOPYRANOSIDE
8-B-D-Glucosyl-7-hydroxy-coumarin
(7-S,8-S)-THREO-7,9,9'-TRIHYDROXY-3,3'-DIMETHOXY-8-O-4'-NEOLIGNAN-4-O-BETA-D-GLUCOPYRANOSIDE
(7-R,8-S)-ERYTHRO-7,9,9'-TRIHYDROXY-3,3'-DIMETHOXY-8-O-4'-NEOLIGNAN-4-O-BETA-D-GLUCOPYRANOSIDE
| Title | Journal or Book | Year |
|---|---|---|
| Biosynthesis of scopoletin and scopolin in cassava roots during post-harvest physiological deterioration: The E-Z-isomerisation stage | Phytochemistry | 2008 |
| A Furanocoumarin glucoside from stembark of Skimmia japonica | Phytochemistry | 1992 |
NIST/EPA/NIH MS/MS Mass Spectral Library 2020 HR
Author: NIST
The NIST/EPA/NIH MS/MS 2020 libraries contain over 1,320,000 spectra for over 185,500 ions. The MS/MS libraries also contain metabolites, peptides (including biologically-relevant peptides), contaminants, lipids, and more. Learn more.
NIST/EPA/NIH MS/MS Mass Spectral Library 2020 LR
Author: NIST
The NIST/EPA/NIH MS/MS 2020 libraries contain over 1,320,000 spectra for over 185,500 ions. The MS/MS libraries also contain metabolites, peptides (including biologically-relevant peptides), contaminants, lipids, and more. Learn more.
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.