Sinigrin
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 9mYDpFto5Rc |
|---|---|
| InChI | InChI=1S/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6+;/t5-,7-,8+,9-,10+;/m0./s1 |
| InChIKey | QKFAFSGJTMHRRY-IMCRRPDGSA-M |
| Mol Weight | 397.45 g/mol |
| Molecular Formula | C10H16KNO9S2 |
| Exact Mass | 396.990355 g/mol |
| Parent InChIKey | PHZOWSSBXJXFOR-BBKGVOBCSA-M |
| Enantiomer InChIKey | QKFAFSGJTMHRRY-OCFLFPRFSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
1-thio-beta-D-glucopyranose, 1-(3-butenohydroximate), NO-(hydrogen sulfate), monopotassium salt, monohydrate
(-)-Sinigrin hydrate
1-S-[(1E)-N-Hydroxy-3-phenylpropanimidoyl]-1-thiohexopyranose
DESULFO-4-BENZOYLOXYBUTYL-GLUCOSINOLATE
cinnamaldehyde, 4-[p-(beta-D-glucosylthio)phenyl]-3-thiosemicarbazone
salicylaldehyde, 4-[p-(beta-D-glucosylthio)phenyl]-3-thiosemicarbazone
octyl 3-O-isobutyryl-.beta.-D-thioglucopyranoside
1,6-DIDEOXY-1,6-EPITHIO-BETA-D-GLUCOPYRANOSE-S,S-DIOXIDE
4-(CYClOHEXYLAMINO-1,6-EPITHIO-1,4,6-TRIDEOXY-BETA-D-GLUCOSE
METHYL-O-(BETA-D-GLUCOPYRANOSYL)-(1->3)-BETA-D-XYLOPYRANOSIDE
| Title | Journal or Book | Year |
|---|---|---|
| Sinapinyl but-3-enylglucosinolate from Boreava orientalis | Phytochemistry | 1995 |
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