Aspalathin

CAS Registry Number®

6027-43-6

CAS Name

Aspalathin

Molecular Formula

C21H24O11

Molecular Mass

452.41

Cite this Page

Aspalathin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6027-43-6 (retrieved 2024-11-24) (CAS RN: 6027-43-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    131-165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2/t14-,17-,19+,20-,21+/m1/s1

InChIKey

InChIKey=VCPUQYKWJRESOC-VJXVFPJBSA-N

SMILES

O[C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)C2=C(O)C(C(CCC3=CC(O)=C(O)C=C3)=O)=C(O)C=C2O

Canonical SMILES

O=C(C1=C(O)C=C(O)C(=C1O)C2OC(CO)C(O)C(O)C2O)CCC3=CC=C(O)C(O)=C3

Other Names for this Substance

  • 1-Propanone, 3-(3,4-dihydroxyphenyl)-1-(3-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-
  • Propiophenone, 3-(3,4-dihydroxyphenyl)-3′-β-D-glucopyranosyl-2′,4′,6′-trihydroxy-
  • 3-(3,4-Dihydroxyphenyl)-1-(3-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-1-propanone
  • Aspalathin

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