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CAS 12768-44-4

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4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, hydrogen sulfate, sodium salt

Description:
The chemical substance known as "4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, hydrogen sulfate, sodium salt," with CAS number 12768-44-4, is a complex flavonoid derivative. It features a benzopyran core structure, which is characteristic of many flavonoids, and is substituted with multiple hydroxyl groups that contribute to its potential antioxidant properties. The presence of sugar moieties, specifically a deoxy-mannopyranosyl and a glucopyranosyl unit, indicates that this compound may exhibit glycosylation, which can enhance its solubility and bioactivity. The hydrogen sulfate group suggests that it may have acidic properties, and the sodium salt form indicates that it is likely soluble in water. This compound may be of interest in pharmacological research due to its potential health benefits, including anti-inflammatory and antioxidant effects, although specific biological activities would require further investigation. Overall, its structural complexity and functional groups suggest a diverse range of potential applications in biochemistry and medicinal chemistry.
Formula:C27H30O16·xH2O4S·xNa
InChI:InChI=1S/C27H30O16.Na.H2O4S/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;1-5(2,3)4/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;;(H2,1,2,3,4)/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;/m0../s1
InChI key:InChIKey=KJWDJSPQNNFBJE-VBXOIZFTSA-N
SMILES:S(=O)(=O)(O)O.O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O.[Na]
Synonyms:
  • Rutin acid salt
  • Rutin sodium sulfate
  • 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, hydrogen sulfate, sodium salt
  • Birutin forte
  • Sodium rutin sulfate
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