1,3,6-Trigalloyl glucose

1,3,6-Trigalloyl glucose
Chemical structure of 1,3,6-trigalloyl glucose
Names
IUPAC name
β-D-Glucopyranose 1,3,6-tris(3,4,5-trihydroxybenzoate)
Systematic IUPAC name
(2R,3R,4S,5R,6S)-3,5-Dihydroxyoxane-2,4,6-triyl tris(3,4,5-trihydroxybenzoate)
Other names
1,3,6-Trigalloyl-β-D-glucose
1,3,6-Tris-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose
Identifiers
CAS Number
  • 18483-17-5 checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:24182
ChEMBL
  • ChEMBL389895
ChemSpider
  • 398744
ECHA InfoCard 100.155.493 Edit this at Wikidata
EC Number
  • 627-120-1
KEGG
  • C17458
PubChem CID
  • 452707
UNII
  • O8718334XJ checkY
CompTox Dashboard (EPA)
  • DTXSID3041667 Edit this at Wikidata
InChI
  • InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1
    Key: RNKMOGIPOMVCHO-SJMVAQJGSA-N
  • InChI=1/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1
    Key: RNKMOGIPOMVCHO-SJMVAQJGBQ
  • c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O
Properties
Chemical formula
 C27H24O18
Molar mass 636.46 g/mol
Hazards
GHS labelling:
Pictograms
 GHS07: Exclamation mark
Warning
Hazard statements
 H315, H319, H335
Precautionary statements
 P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references
Chemical compound

1,3,6-Trigalloyl glucose is a gallotannin. It can be found in Paeonia lactiflora and Terminalia chebula.[1]

References

  1. ^ Encyclopedia of Traditional Chinese Medicines: Molecular Structures. Jiaju Zhou, Guirong Xie, Xinjian Yan, p. 126, at Google Books
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Types of gallotannins
AglyconesGalloyl glucoses
Digalloyl glucoses:
Trigalloyl glucoses:
Tetragalloyl glucoses:
  • 1,2,3,6-tetragalloylglucose
    • 1,2,3,6-tetra-O-galloyl-β-D-glucose
  • 1,2,4,6-Tetragalloyl glucose
    • 1,2,4,6-tetra-O-galloyl-β-D-glucose
Pentagalloyl glucose:
other
  • Hexagalloyl glucose
  • Heptagalloyl glucose
  • Octagalloyl glucose
  • Nonagalloyl glucose
  • Decagalloyl glucose
Galloyl quinic acids
Galloyl quinic acids:
  • 3-O-Galloylquinic acid
  • 4-O-Galloylquinic acid
  • 5-O-Galloylquinic acid
Digalloyl quinic acids:
  • 1,4-Di-O-galloylquinic acid
  • 3,4-di-O-Galloylquinic acid
  • 3,5-di-O-Galloylquinic acid
  • 4,5-di-O-Galloylquinic acid
Trigalloyl quinic acids:
Galloyl shikimic acids
  • 4-O-Galloyl shikimic acid
  • 5-O-Galloyl shikimic acid
  • 3,5-di-O-galloyl-shikimic acid
  • 3,4,5-tri-O-galloylshikimic acid
others
  • 1,2,6-trigalloyl alloside
  • 1,3,6-trigalloyl alloside
  • 1,2,3,6-tetragalloyl alloside
  • 1-O-galloyl proto-quercitol
  • 1,4-di-O-galloyl proto-quercitol


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