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

CAS Registry Number®

12768-44-4
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CAS Name

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

Molecular Formula

C27H30O16.xH2O4S.xNa

Cite this Page

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.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12768-44-4 (retrieved 2024-05-19) (CAS RN: 12768-44-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

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]

Canonical SMILES

[Na].O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(O)C5.O=S(=O)(O)O

Other Names for this Substance

  • 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
  • Rutin acid salt
  • Rutin sodium sulfate

Deleted or Replaced CAS Registry Numbers

28959-51-5, 29189-76-2

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