Chrysin-7-O-Beta-D-glucoronide
- Iupac Name：(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
- CAS No.: 35775-49-6
- Molecular Weight：506.41298
- Modify Date.: 2022-11-24 07:37
- Introduction:
Chrysin-7-O-glucuronide is a flavonoid extracted from Scutellaria baicalensis, with antioxidant activity[1].
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1. Names and Identifiers
- 1.1 Name
- Chrysin-7-O-Beta-D-glucoronide
- 1.2 Synonyms
4H-1-Benzopyran-4-one, 7-(Β-D-glucopyranuronosyloxy)-5-hydroxy-2-phenyl- 5-Hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid 5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl Β-D-glucopyranosiduronic acid Chrysin 7-beta-D-glucuronide Chrysin 7-O-beta-D-glucopyranuronoside Chrysin glucuronide Chrysin-7-glucoronide Chrysin-7-O-beta-D-glucuronide Chrysin-7-O-β- D-glucoronide Chrysin-7-O-Β-D-glucoronide Chrysin-7-O-Β-D-glucuronide
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- 1.3 CAS No.
- 35775-49-6
- 1.4 CID
- 14135334
- 1.5 Molecular Formula
- C21H18O10 (isomer)
- 1.6 Inchi
- InChI=1S/C21H18O10/c22-11-6-10(29-21-18(26)16(24)17(25)19(31-21)20(27)28)7-14-15(11)12(23)8-13(30-14)9-4-2-1-3-5-9/h1-8,16-19,21-22,24-26H,(H,27,28)
- 1.7 InChIkey
- IDRSJGHHZXBATQ-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
- 1.9 Isomers Smiles
- C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
2. Properties
- 2.1 Density
- 1.665±0.06 g/cm3(Predicted)
- 2.1 Melting point
- 226 oC
- 2.1 Boiling point
- 787.8±60.0 °C(Predicted)
- 2.1 Refractive index
- 1.716
- 2.1 Flash Point
- 281.2±26.4 °C
- 2.1 Precise Quality
- 430.089996
- 2.1 PSA
- 163
- 2.1 logP
- 0.23
- 2.1 Solubility
- Very 微溶 (0.29 g/L) (25 oC),
- 2.2 Color/Form
- Yellow powder
- 2.3 pKa
- 2.73±0.70(Predicted)
- 2.4 StorageTemp
- Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Other Information
- 4.0 General Description
-
This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG
5. Computational chemical data
- Molecular Weight: 506.41298g/mol
- Molecular Formula: C21H18O10
- Compound Is Canonicalized: True
- XLogP3-AA: 1.5
- Exact Mass: 430.08999677
- Monoisotopic Mass: 430.08999677
- Complexity: 717
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 10
- Topological Polar Surface Area: 163
- Heavy Atom Count: 31
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YIEAAAAAAACBQAAAGgAACAAADBSwmAMwDoAABgCIAqDSCAICCAAkIAAIiAFGCMgdNzaGNR6ieWCl4BUPuQfK7KzOIAAACAAIAABAAAAQABAAAAAAAAAAAA==
6. Recommended Suppliers
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- Tel:+86-21-51320588 ext. 8025
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7. Realated Product Infomation
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