Neoisoliquiritin

CAS Registry Number®

59122-93-9
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CAS Name

Neoisoliquiritin

Molecular Formula

C21H22O9

Molecular Mass

418.39

Cite this Page

Neoisoliquiritin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59122-93-9 (retrieved 2024-04-29) (CAS RN: 59122-93-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    187-189 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=XQWFHGOIUZFQPJ-LXGDFETPSA-N

SMILES

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

Canonical SMILES

O=C(C=CC1=CC=C(O)C=C1)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2O

Other Names for this Substance

  • 2-Propen-1-one, 1-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)-
  • Neoisoliquiritin
  • 2-Propen-1-one, 1-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-3-(4-hydroxyphenyl)-, (E)-
  • (2E)-1-[4-(β-D-Glucopyranosyloxy)-2-hydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
  • Neoisoliquiritine

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Deleted or Replaced CAS Registry Numbers

104042-65-1, 88315-33-7

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