1-[3-[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl]ethanone

CAS Registry Number®

152041-21-9

CAS Name

1-[3-[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl]ethanone

Molecular Formula

C28H26O17

Molecular Mass

634.50

Cite this Page

1-[3-[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl]ethanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152041-21-9 (retrieved 2024-11-12) (CAS RN: 152041-21-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H26O17/c1-8(29)18-11(30)6-12(31)19(23(18)39)25-26(45-28(42)10-4-15(34)21(37)16(35)5-10)24(40)22(38)17(44-25)7-43-27(41)9-2-13(32)20(36)14(33)3-9/h2-6,17,22,24-26,30-40H,7H2,1H3/t17-,22-,24+,25+,26-/m1/s1

InChIKey

InChIKey=OERBJDHTUNHWHD-PVHIDGQHSA-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(C)=O)=C(O)C=C4O

Canonical SMILES

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

Other Names for this Substance

  • Ethanone, 1-[3-[2,6-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl]-
  • Benzoic acid, 3,4,5-trihydroxy-, 2′,6′-diester with 1-(3-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)ethanone
  • 1-[3-[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl]ethanone

CAS INSIGHTSTM
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