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Merck
CN

00290

(−)-Sinigrin hydrate

analytical standard

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About This Item

Empirical Formula (Hill Notation):
C10H16KNO9S2 · xH2O
CAS Number:
3952-98-5
Molecular Weight:
397.46 (anhydrous basis)
NACRES:
NA.24
PubChem Substance ID:
329747031
UNSPSC Code:
85151701
MDL number:
MFCD00149447

Key Documents

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Product Name

(−)-Sinigrin hydrate, analytical standard

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

SMILES string

[K+].[H]O[H].OC[C@H]1O[C@@H](S\C(CC=C)=N\OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI key

IUBVMJHASFBYGW-WBMBWNLZSA-M

grade

analytical standard

assay

≥99.0% (TLC)

optical activity

[α]/D -17.0±1°, c = 1 in H2O

shelf life

limited shelf life, expiry date on the label

impurities

≤6.0% water

mp

128 (dec.) (lit.)

application(s)

food and beverages

format

neat

Quality Level

100

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Related Categories

Biochem/physiol Actions

A β-D-thioglucopyranoside occurring in black mustard seeds and horseradish root. Substrate for thioglucosidase.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H317

Hazard Classifications

Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM2025
BCCH8863
BCCD2474
BCBW5081

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Andrew Morgan et al.
Chemico-biological interactions, 310, 108739-108739 (2019-07-10)
Phenol red (PR) is the standard pH indicator in various cell and tissue culture media, as it provides a quick check for the health of the culture. PR has also been used in multiple protocols to detect cellular hydrogen peroxide
Tianxin Wang et al.
Phytochemical analysis : PCA, 22(3), 205-213 (2010-11-04)
Sinigrin, a major glucosinolate present in Indian mustard (Brassica juncea L.) seeds as the precursor of the anticancer compound allyl isothiocyanate, shows a wide range of biological activities. It's necessary to optimize the extraction methods and conditions, in order to
Gaetan Glauser et al.
Phytochemical analysis : PCA, 23(5), 520-528 (2012-02-11)
The analysis of glucosinolates (GS) is traditionally performed by reverse-phase liquid chromatography coupled to ultraviolet detection after a time-consuming desulphation step, which is required for increased retention. Simpler and more efficient alternative methods that can shorten both sample preparation and
Kody A Belliveau et al.
Natural product research, 24(1), 24-33 (2009-12-17)
A simple procedure for extracting and purifying sinigrin from Oriental mustard (Brassica juncea) meal using cold water was developed. Subsequently, the chemical degradation of sinigrin due to enzymatic activity was monitored using (1)H NMR spectroscopy over the course of 30
Richard A Lankau et al.
The American naturalist, 171(2), 150-161 (2008-01-17)
Plants interact with many different species throughout their life cycle. Recent work has shown that the ecological effects of multispecies interactions are often not predictable from studies of the component pairwise interactions. Little is known about how multispecies interactions affect
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