7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one

CAS Registry Number®

13454-27-8

CAS Name

7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one

Molecular Formula

C22H22O11

Molecular Mass

462.40

Cite this Page

7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-3-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=13454-27-8 (retrieved 2024-11-24) (CAS RN: 13454-27-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    336-337 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H22O11/c1-30-21-17(27)15-12(25)6-11(31-22-19(29)18(28)16(26)14(8-23)33-22)7-13(15)32-20(21)9-2-4-10(24)5-3-9/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3/t14-,16-,18+,19-,22-/m1/s1

InChIKey

InChIKey=FQKGNOGAGLOTLV-UKWZQOBBSA-N

SMILES

O=C1C=2C(OC(=C1OC)C3=CC=C(O)C=C3)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC2O

Canonical SMILES

O=C1C(OC)=C(OC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C12)C=4C=CC(O)=CC4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-
  • Flavone, 4′,5,7-trihydroxy-3-methoxy-, 7-β-D-glucopyranoside
  • 7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
  • Kaempferol 3-methyl ether 7-β-D-glucoside

Deleted or Replaced CAS Registry Numbers

28880-18-4, 1194873-02-3

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