2-(3,4-Dihydroxyphenyl)-6-(β-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

CAS Registry Number®

22860-72-6

CAS Name

2-(3,4-Dihydroxyphenyl)-6-(β-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

Molecular Formula

C22H22O12

Molecular Mass

478.40

Cite this Page

2-(3,4-Dihydroxyphenyl)-6-(β-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22860-72-6 (retrieved 2024-12-22) (CAS RN: 22860-72-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    254 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22+/m1/s1

InChIKey

InChIKey=WLDSVYQTJXGHOT-GSVZXUNASA-N

SMILES

OC1=C2C(OC(=CC2=O)C3=CC(O)=C(O)C=C3)=CC(OC)=C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C=C(OC=2C=C(OC)C(OC3OC(CO)C(O)C(O)C3O)=C(O)C12)C=4C=CC(O)=C(O)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-(β-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-
  • Pedaliin
  • 2-(3,4-Dihydroxyphenyl)-6-(β-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
  • Pedalitin 6-O-β-D-glucopyranoside
  • Pedalitin 6-O-glucoside

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