2-(3,4-Dihydroxyphenyl)-8-β-D-glucopyranosyl-3,7-dihydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

108335-27-9
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CAS Name

2-(3,4-Dihydroxyphenyl)-8-β-D-glucopyranosyl-3,7-dihydroxy-4H-1-benzopyran-4-one

Molecular Formula

C21H20O11

Molecular Mass

448.38

Cite this Page

2-(3,4-Dihydroxyphenyl)-8-β-D-glucopyranosyl-3,7-dihydroxy-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=108335-27-9 (retrieved 2024-09-19) (CAS RN: 108335-27-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20O11/c22-6-12-15(27)16(28)18(30)21(31-12)13-10(24)4-2-8-14(26)17(29)19(32-20(8)13)7-1-3-9(23)11(25)5-7/h1-5,12,15-16,18,21-25,27-30H,6H2/t12-,15-,16+,18-,21+/m1/s1

InChIKey

InChIKey=GVDZEEZFEKPWPL-GOXGMXGVSA-N

SMILES

OC=1C(=C2C(C(=O)C(O)=C(O2)C3=CC(O)=C(O)C=C3)=CC1)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C(O)=C(OC=2C1=CC=C(O)C2C3OC(CO)C(O)C(O)C3O)C=4C=CC(O)=C(O)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-β-D-glucopyranosyl-3,7-dihydroxy-
  • 2-(3,4-Dihydroxyphenyl)-8-β-D-glucopyranosyl-3,7-dihydroxy-4H-1-benzopyran-4-one