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

CAS Registry Number®

60671-81-0
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CAS Name

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

Molecular Formula

C21H20O13

Molecular Mass

480.38

Cite this Page

2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,6,7-trihydroxy-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=60671-81-0 (retrieved 2024-09-21) (CAS RN: 60671-81-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    203 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H20O13/c22-5-11-14(27)17(30)18(31)21(33-11)34-20-16(29)12-10(4-9(25)13(26)15(12)28)32-19(20)6-1-2-7(23)8(24)3-6/h1-4,11,14,17-18,21-28,30-31H,5H2/t11-,14-,17+,18-,21+/m1/s1

InChIKey

InChIKey=YUANNBKEZDNSIV-CZTZGLBASA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C(O)=C(O)C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC3=CC(O)=C(O)C(O)=C13)C=4C=CC(O)=C(O)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,6,7-trihydroxy-
  • Tagetiin
  • 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,6,7-trihydroxy-4H-1-benzopyran-4-one
  • Quercetagetin 3-O-glucoside
  • Quercetagetin 3-glucoside

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