Gallic acid 3-O-(6′-O-galloyl)-β-D-glucopyranoside

CAS Registry Number®

87087-61-4

CAS Name

Gallic acid 3-O-(6′-O-galloyl)-β-D-glucopyranoside

Molecular Formula

C20H20O14

Molecular Mass

484.36

Cite this Page

Gallic acid 3-O-(6′-O-galloyl)-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87087-61-4 (retrieved 2024-11-08) (CAS RN: 87087-61-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H20O14/c21-8-2-7(3-9(22)13(8)24)19(31)32-5-12-15(26)16(27)17(28)20(34-12)33-11-4-6(18(29)30)1-10(23)14(11)25/h1-4,12,15-17,20-28H,5H2,(H,29,30)/t12-,15-,16+,17-,20-/m1/s1

InChIKey

InChIKey=NRQUZRZEYPSZEY-WRMYNCHHSA-N

SMILES

O([C@@H]1O[C@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@H]1O)C3=CC(C(O)=O)=CC(O)=C3O

Canonical SMILES

O=C(O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1

Other Names for this Substance

  • Benzoic acid, 3,4-dihydroxy-5-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-
  • 3,4-Dihydroxy-5-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzoic acid
  • Gallic acid 3-O-(6′-O-galloyl)-β-D-glucopyranoside

Deleted or Replaced CAS Registry Numbers

1467592-60-4

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles