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

CAS Registry Number®

67771-96-4

CAS Name

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

Molecular Formula

C20H20O13

Molecular Mass

468.36

Cite this Page

3,5-Dihydroxy-4-[[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=67771-96-4 (retrieved 2024-11-22) (CAS RN: 67771-96-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QNCVLUMAFVDLOF-RGCXKDKSSA-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=C(O)C=C(C=O)C=C3O

Canonical SMILES

O=CC1=CC(O)=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)=C1

Other Names for this Substance

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

CAS INSIGHTSTM
Targeted protein degrader structure, illustration