1,2,3,6-Tetra-O-galloyl-β-D-glucose

CAS Registry Number®

79886-50-3
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CAS Name

1,2,3,6-Tetra-O-galloyl-β-D-glucose

Molecular Formula

C34H28O22

Molecular Mass

788.57

Cite this Page

1,2,3,6-Tetra-O-galloyl-β-D-glucose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79886-50-3 (retrieved 2024-05-02) (CAS RN: 79886-50-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-200 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1

InChIKey

InChIKey=RATQVALKDAUZBW-XPMKZLBQSA-N

SMILES

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

Canonical SMILES

O=C(OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C1O)C5=CC(O)=C(O)C(O)=C5

Other Names for this Substance

  • β-D-Glucopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate)
  • 1,2,3,6-Tetra-O-galloyl-β-D-glucopyranose
  • β-D-Glucopyranose 1,2,3,6-tetragallate
  • 1(β),2,3,6-Tetra-O-galloylglucose
  • 1,2,3,6-Tetra-O-galloyl-β-D-glucose

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Deleted or Replaced CAS Registry Numbers

84297-48-3

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