| SpectraBase Spectrum ID |
Jmvj5qEcAuK |
| Name |
beta-D-1-THIOGLUCOPYRANOSE, 1-(3-BUTENOHYDROXIMATE), NO-(HYDROGENSULFATE), MONOPOTASSIUM SALT, MONOHYDRATE |
| Source of Sample |
Fluka Chemie AG, Buchs, Switzerland |
| Comments |
SINIGRIN IS FOUND IN THE SEEDS OF BLACK MUSTARD AND CABBAGE |
| Copyright |
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H18KNO10S2 |
| InChI |
InChI=1S/C10H17NO9S2.K.H2O/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);;1H2/q;+1;/p-1/b11-6+;;/t5-,7-,8+,9-,10+;;/m1../s1 |
| InChIKey |
IUBVMJHASFBYGW-WBMBWNLZSA-M |
| Molecular Weight |
415.471920 |
| Optical Properties |
Optical Rotation= (20C) -17 +/-1 DEG (c=1, WATER) |
| Synonyms |
ALLYL GLUCOSINOLATE, MONOHYDRATE
GLUCOPYRANOSE, B-D-1-THIO-, 1- /3-BUTENOHYDROXIMATE/, NO-/HYDROGEN- SULFATE/, MONOPOTASSIUM SALT, MONO- HYDRATE
1-THIO-beta-D-GLUCOPYRANOSE, 1-(N-(SULFOOXY)-3-BUTENIMIDATE), MONOPOTASSIUM SALT, MONOHYDRATE
SINIGRIN, MONOHYDRATE |
| Technique |
KBr WAFER |
