ChemicalBook--->CAS DataBase List--->131189-57-6

131189-57-6

131189-57-6 Structure

131189-57-6 Structure
IdentificationBack Directory
[Name]

Cornuside
[CAS]

131189-57-6
[Synonyms]

Comuside
cornuside
Comuside I
Cornuside I
7-Galloylsecologanol
7-O-Galloylsecologanol
Cornuside >=95% (LC/MS-ELSD)
(2S)-3α-Ethenyl-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-4α-[2-(galloyloxy)ethyl]-2H-pyran-5-carboxylic acid methyl ester
2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl]-, methyl ester, (2S,3R,4S)-
Methyl (2R,3S,4R)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
[Molecular Formula]

C34H50O20
[MDL Number]

MFCD21606970
[MOL File]

131189-57-6.mol
[Molecular Weight]

542.49
Chemical PropertiesBack Directory
[Boiling point ]

817.6±65.0 °C(Predicted)
[density ]

1.58±0.1 g/cm3(Predicted)
[storage temp. ]

?20°C
[solubility ]

Soluble in methan
[form ]

powder
[pka]

7.90±0.25(Predicted)
[color ]

White-off-white
[Major Application]

food and beverages
[InChIKey]

SMTKSCGLXONVGL-ZEIULZLQSA-N
[SMILES]

O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@H]2OC=C([C@@H]([C@@H]2C=C)CCOC(=O)c3cc(c(c(c3)O)O)O)C(=O)OC
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

3
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

It is soluble in organic solvents such as methanol, ethanol, and DMSO, and is derived from Cornus officinalis.
[Uses]

Cornuside is a gallotannin obtained from Cornus officinalis fruits and displays anti-cholinesterase and β-?site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibition.
Spectrum DetailBack Directory
[Spectrum Detail]

Cornuside(131189-57-6)1HNMR
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