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-glucopyranosideMolecular Formula
C27H26O18Molecular Mass
638.48Cite 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 ) (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