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20300-50-9

20300-50-9 Structure

20300-50-9 Structure
IdentificationBack Directory
[Name]

β-D-Glucopyranoside, 4-[[(3,4-dihydroxybenzoyl)oxy]methyl]-2-hydroxyphenyl
[CAS]

20300-50-9
[Synonyms]

β-D-Glucopyranoside, 4-[[(3,4-dihydroxybenzoyl)oxy]methyl]-2-hydroxyphenyl
[Molecular Formula]

C20H22O11
[MOL File]

20300-50-9.mol
[Molecular Weight]

438.38
Chemical PropertiesBack Directory
[Melting point ]

111-116 °C
[Boiling point ]

784.8±60.0 °C(Predicted)
[density ]

1.621±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

solid
[pka]

7.97±0.20(Predicted)
[biological source]

plant
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C20H22O11/c21-7-15-16(25)17(26)18(27)20(31-15)30-14-4-1-9(5-13(14)24)8-29-19(28)10-2-3-11(22)12(23)6-10/h1-6,15-18,20-27H,7-8H2/t15-,16-,17+,18-,20-/m1/s1
[InChIKey]

MFOVLHFTNQGRLH-BFMVXSJESA-N
[SMILES]

O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)Oc2c(cc(cc2)COC(=O)c3cc(c(cc3)O)O)O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

It is a natural product derived from plant source th at finds application in compound screening libraries, metabolomics, phytochemical, and pharmaceutical research.
[Definition]

ChEBI: Oreganol is a glycoside.
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