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

CAS Registry Number®

92631-86-2

CAS Name

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

Molecular Formula

C40H32O23

Molecular Mass

880.67

Cite this Page

(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[2,3,6-tris-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=92631-86-2 (retrieved 2024-11-24) (CAS RN: 92631-86-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H32O23/c41-16-2-1-12(3-17(16)42)29(51)27-18(43)10-19(44)28(34(27)56)35-37(63-40(59)15-8-24(49)32(54)25(50)9-15)36(62-39(58)14-6-22(47)31(53)23(48)7-14)33(55)26(61-35)11-60-38(57)13-4-20(45)30(52)21(46)5-13/h1-10,26,33,35-37,41-50,52-56H,11H2/t26-,33-,35+,36+,37+/m1/s1

InChIKey

InChIKey=KBVKYXGJABWIOL-AITSTBGFSA-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(O)=C(O)C(O)=C3)[C@@H](O)[C@@H]2OC(=O)C4=CC(O)=C(O)C(O)=C4)C5=C(O)C(C(=O)C6=CC(O)=C(O)C=C6)=C(O)C=C5O

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(OC(=O)C5=CC(O)=C(O)C(O)=C5)C1O)C6=CC(O)=C(O)C(O)=C6

Other Names for this Substance

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

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