ChemicalBook--->CAS DataBase List--->76746-56-0

76746-56-0

76746-56-0 Structure

76746-56-0 Structure
IdentificationBack Directory
[Name]

ISOCOLUMBIN
[CAS]

76746-56-0
[Synonyms]

Acertannin
Cha Tiao Qi Su A
Aceritannin >=85% (LC/MS-UV)
2,6-Di-O-galloyl-1,5-anhydro-D-glucitol
D-Glucitol, 1,5-anhydro-, 2,6-bis(3,4,5-trihydroxybenzoate)
[Molecular Formula]

C20H20O13
[MDL Number]

MFCD02682934
[MOL File]

76746-56-0.mol
[Molecular Weight]

468.37
Chemical PropertiesBack Directory
[storage temp. ]

-20°C
[solubility ]

DMSO: 1mg/mL
[Boiling point ]

898.4±65.0 °C(Predicted)
[density ]

1.85±0.1 g/cm3(Predicted)
[form ]

solid
[pka]

7.81±0.25(Predicted)
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChIKey]

IGKWMHUOBKCUQU-LTCOOKNTSA-N
[SMILES]

OC1=C(O)C(O)=CC(C(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C3=CC(O)=C(O)C(O)=C3)=O)OC2)=O)=C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

metabolomics
vitamins, nutraceuticals, and natural products
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