3,4-Dihydroxy-5-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzaldehyde

CAS Registry Number®

115355-99-2
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CAS Name

3,4-Dihydroxy-5-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzaldehyde

Molecular Formula

C20H20O13

Molecular Mass

468.36

Cite this Page

3,4-Dihydroxy-5-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzaldehyde.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115355-99-2 (retrieved 2024-09-21) (CAS RN: 115355-99-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H20O13/c21-5-7-1-9(22)15(26)12(2-7)32-20-18(29)17(28)16(27)13(33-20)6-31-19(30)8-3-10(23)14(25)11(24)4-8/h1-5,13,16-18,20,22-29H,6H2/t13-,16-,17+,18-,20-/m1/s1

InChIKey

InChIKey=SVCSAQHJACEOFN-JQAJVKEVSA-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)=CC(O)=C3O

Canonical SMILES

O=CC1=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

  • Benzaldehyde, 3,4-dihydroxy-5-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-
  • Benzoic acid, 3,4,5-trihydroxy-, 6′-ester with 3-(β-D-glucopyranosyloxy)-4,5-dihydroxybenzaldehyde
  • 3,4-Dihydroxy-5-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzaldehyde
  • Castamollissin