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

CAS Registry Number®

92631-88-4
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CAS Name

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

Molecular Formula

C40H32O22

Molecular Mass

864.67

Cite this Page

(4-Hydroxyphenyl)[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=92631-88-4 (retrieved 2024-09-21) (CAS RN: 92631-88-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H32O22/c41-17-3-1-13(2-4-17)29(50)27-18(42)11-19(43)28(34(27)55)35-37(62-40(58)16-9-24(48)32(53)25(49)10-16)36(61-39(57)15-7-22(46)31(52)23(47)8-15)33(54)26(60-35)12-59-38(56)14-5-20(44)30(51)21(45)6-14/h1-11,26,33,35-37,41-49,51-55H,12H2/t26-,33-,35+,36+,37+/m1/s1

InChIKey

InChIKey=VSDICXYKDIGSQV-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=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=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, (4-hydroxyphenyl)[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-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)(4-hydroxyphenyl)methanone
  • (4-Hydroxyphenyl)[2,4,6-trihydroxy-3-[2,3,6-tris-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]methanone