Isoliquiritin

CAS Registry Number®

5041-81-6
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CAS Name

Isoliquiritin

Molecular Formula

C21H22O9

Molecular Mass

418.39

Cite this Page

Isoliquiritin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5041-81-6 (retrieved 2024-05-04) (CAS RN: 5041-81-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-186 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1

InChIKey

InChIKey=YNWXJFQOCHMPCK-LXGDFETPSA-N

SMILES

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

Canonical SMILES

O=C(C=CC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1)C3=CC=C(O)C=C3O

Other Names for this Substance

  • 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-[4-(β-D-glucopyranosyloxy)phenyl]-, (2E)-
  • Chalcone, 2′,4,4′-trihydroxy-, 4-β-D-glucopyranoside
  • 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-[4-(β-D-glucopyranosyloxy)phenyl]-, (E)-
  • (2E)-1-(2,4-Dihydroxyphenyl)-3-[4-(β-D-glucopyranosyloxy)phenyl]-2-propen-1-one
  • Isoliquiritin

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Deleted or Replaced CAS Registry Numbers

27233-96-1, 30372-12-4

CAS INSIGHTSTM
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