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51005-44-8

51005-44-8 Structure

51005-44-8 Structure
IdentificationBack Directory
[Name]

Minecoside
[CAS]

51005-44-8
[Synonyms]

Minecoside
Minecoside >=85% (LC/MS-ELSD)
(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl(2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate
β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-[[(2E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
a-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)- 1a,1b,2,5a,6,6a-hexahydro-6-[[(2E)-3-(3- hydroxy-4-methoxyphenyl)-1-oxo-2-propenyl]- oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta- [1,2-c]pyran-2-yl
[Molecular Formula]

C25H30O13
[MDL Number]

MFCD20274711
[MOL File]

51005-44-8.mol
[Molecular Weight]

538.5
Chemical PropertiesBack Directory
[Boiling point ]

815.9±65.0 °C(Predicted)
[density ]

1.61±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

Powder
[pka]

9.48±0.10(Predicted)
[color ]

White to off-white
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChIKey]

LRHHPZILMPIMIY-GGKKSNITSA-N
[SMILES]

COc1ccc(\C=C\C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25)cc1O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

Minecoside is an iridoid glycoside with antioxidant activity and is obtained from Veronica peregrina. Potential anti-inflammatory agent.
[Definition]

ChEBI: Minecoside is a hydroxycinnamic acid. It has a role as a metabolite.
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