[3-[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl](4-hydroxyphenyl)methanone

CAS Registry Number®

92631-87-3

CAS Name

[3-[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl](4-hydroxyphenyl)methanone

Molecular Formula

C33H28O18

Molecular Mass

712.56

Cite this Page

[3-[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl](4-hydroxyphenyl)methanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=92631-87-3 (retrieved 2024-11-25) (CAS RN: 92631-87-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H28O18/c34-14-3-1-11(2-4-14)24(41)22-15(35)9-16(36)23(28(22)45)30-31(51-33(48)13-7-19(39)26(43)20(40)8-13)29(46)27(44)21(50-30)10-49-32(47)12-5-17(37)25(42)18(38)6-12/h1-9,21,27,29-31,34-40,42-46H,10H2/t21-,27-,29+,30+,31-/m1/s1

InChIKey

InChIKey=KSLXEOVMWLSIDW-QGJGNJNTSA-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]2O)C4=C(O)C(C(=O)C5=CC=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=C3)C2O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C1O)C5=CC(O)=C(O)C(O)=C5

Other Names for this Substance

  • Methanone, [3-[2,6-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl](4-hydroxyphenyl)-
  • Benzoic acid, 3,4,5-trihydroxy-, 2′,6′-diester with (3-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)(4-hydroxyphenyl)methanone
  • [3-[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl](4-hydroxyphenyl)methanone

CAS INSIGHTSTM
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