3-Acetyl-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one

CAS Registry Number®

20943-16-2

CAS Name

3-Acetyl-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one

Molecular Formula

C17H18O9

Molecular Mass

366.32

Cite this Page

3-Acetyl-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20943-16-2 (retrieved 2024-11-22) (CAS RN: 20943-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H18O9/c1-7(19)10-4-8-2-3-9(5-11(8)25-16(10)23)24-17-15(22)14(21)13(20)12(6-18)26-17/h2-5,12-15,17-18,20-22H,6H2,1H3/t12-,13-,14+,15-,17-/m1/s1

InChIKey

InChIKey=KYVGMGQCZKBVDT-OWVAZHOYSA-N

SMILES

C(C)(=O)C1=CC=2C(=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC2)OC1=O

Canonical SMILES

O=C1OC=2C=C(OC3OC(CO)C(O)C(O)C3O)C=CC2C=C1C(=O)C

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 3-acetyl-7-(β-D-glucopyranosyloxy)-
  • Coumarin, 3-acetyl-7-(β-D-glucopyranosyloxy)-
  • 3-Acetyl-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one

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