31105-76-7

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31105-76-7 Structure

Identification	Back Directory
[Name] Hispidulin 7-glucuronide
[CAS] 31105-76-7
[Synonyms] Hispidulin 7-glucuronide Hispidulin 7-glucuronide >=95% (LC/MS-ELSD) β-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl
[Molecular Formula] C22H20O12
[MDL Number] MFCD24849387
[MOL File] 31105-76-7.mol
[Molecular Weight] 476.39

Chemical Properties	Back Directory
[Boiling point ] 847.7±65.0 °C(Predicted)
[density ] 1.695±0.06 g/cm3(Predicted)
[storage temp. ] -20°C
[form ] solid
[pka] 2.73±0.70(Predicted)
[Major Application] metabolomics vitamins, nutraceuticals, and natural products
[InChIKey] GVEZRDBRYNJUDQ-QSUZLTIMSA-N
[SMILES] COc1c(O)c2C(=O)C=C(Oc2cc1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c4ccc(O)cc4

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302
[Precautionary statements ] P264-P270-P301+P312-P330-P501
[Hazard Codes ] Xn
[Risk Statements ] 22
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

Hazard Information	Back Directory
[Uses] metabolomics vitamins, nutraceuticals, and natural products
[Definition] ChEBI: 6-O-methylscutellarin is a glucosiduronic acid and a member of flavonoids.

Spectrum Detail	Back Directory
[Spectrum Detail] Hispidulin 7-glucuronide(31105-76-7)¹HNMR

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