4-[[[2-(5-Carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl β-D-glucopyranoside

CAS Registry Number®

68735-76-2

CAS Name

4-[[[2-(5-Carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl β-D-glucopyranoside

Molecular Formula

C27H26O18

Molecular Mass

638.48

Cite this Page

4-[[[2-(5-Carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68735-76-2 (retrieved 2024-11-13) (CAS RN: 68735-76-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H26O18/c28-6-16-19(35)20(36)22(38)27(44-16)45-24-13(31)1-8(2-14(24)32)7-42-26(41)10-5-12(30)18(34)21(37)23(10)43-15-4-9(25(39)40)3-11(29)17(15)33/h1-5,16,19-20,22,27-38H,6-7H2,(H,39,40)/t16-,19-,20+,22-,27+/m1/s1

InChIKey

InChIKey=XNGJTVXWNURNOS-OPVSPXBJSA-N

SMILES

O(C1=C(C(OCC2=CC(O)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C2)=O)C=C(O)C(O)=C1O)C4=CC(C(O)=O)=CC(O)=C4O

Canonical SMILES

O=C(O)C1=CC(O)=C(O)C(OC2=C(O)C(O)=C(O)C=C2C(=O)OCC3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C(O)=C3)=C1

Other Names for this Substance

  • β-D-Glucopyranoside, 4-[[[2-(5-carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl
  • 4-[[[2-(5-Carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl β-D-glucopyranoside
  • Chesnatin

CAS INSIGHTSTM
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