(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]methanone

CAS Registry Number®

92631-84-0

CAS Name

(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]methanone

Molecular Formula

C33H28O17

Molecular Mass

696.57

Cite this Page

(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-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=92631-84-0 (retrieved 2024-12-13) (CAS RN: 92631-84-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H28O17/c34-15-4-1-12(2-5-15)32(46)48-11-22-27(43)29(45)31(50-33(47)14-8-20(39)26(42)21(40)9-14)30(49-22)24-19(38)10-18(37)23(28(24)44)25(41)13-3-6-16(35)17(36)7-13/h1-10,22,27,29-31,34-40,42-45H,11H2/t22-,27-,29+,30+,31-/m1/s1

InChIKey

InChIKey=POUWJMQLFDEGQD-JMPMIDNKSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@H]2[C@@H](O[C@H](COC(=O)C3=CC=C(O)C=C3)[C@@H](O)[C@@H]2O)C4=C(O)C(C(=O)C5=CC(O)=C(O)C=C5)=C(O)C=C4O

Canonical SMILES

O=C(OCC1OC(C=2C(O)=CC(O)=C(C(=O)C3=CC=C(O)C(O)=C3)C2O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C1O)C5=CC=C(O)C=C5

Other Names for this Substance

  • Methanone, (3,4-dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]-
  • Benzoic acid, 3,4,5-trihydroxy-, 2′-ester with (3,4-dihydroxyphenyl)(3-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)methanone, 6′-(4-hydroxybenzoate)
  • (3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]methanone

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background