(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]phenyl]methanone

CAS Registry Number®

92665-82-2

CAS Name

(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]phenyl]methanone

Molecular Formula

C26H24O13

Molecular Mass

544.46

Cite this Page

(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]phenyl]methanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=92665-82-2 (retrieved 2024-11-08) (CAS RN: 92665-82-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H24O13/c27-12-4-1-10(2-5-12)26(37)38-9-17-21(33)23(35)24(36)25(39-17)19-16(31)8-15(30)18(22(19)34)20(32)11-3-6-13(28)14(29)7-11/h1-8,17,21,23-25,27-31,33-36H,9H2/t17-,21-,23+,24-,25+/m1/s1

InChIKey

InChIKey=NJIPOSKZXKMYEM-BHYIRMGHSA-N

SMILES

OC1=C(C(O)=CC(O)=C1C(=O)C2=CC(O)=C(O)C=C2)[C@@H]3O[C@H](COC(=O)C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(OCC1OC(C=2C(O)=CC(O)=C(C(=O)C3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O)C4=CC=C(O)C=C4

Other Names for this Substance

  • Methanone, (3,4-dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]phenyl]-
  • Benzoic acid, 4-hydroxy-, 6′-ester with (3,4-dihydroxyphenyl)(3-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)methanone
  • (3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]phenyl]methanone

CAS INSIGHTSTM
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