2,3,4,6-Tetra-O-galloyl-D-glucose

CAS Registry Number®

40410-95-5

CAS Name

2,3,4,6-Tetra-O-galloyl-D-glucose

Molecular Formula

C34H28O22

Molecular Mass

788.57

Cite this Page

2,3,4,6-Tetra-O-galloyl-D-glucose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40410-95-5 (retrieved 2024-11-12) (CAS RN: 40410-95-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H28O22/c35-9-24(54-32(50)12-3-17(38)26(46)18(39)4-12)30(56-34(52)14-7-21(42)28(48)22(43)8-14)29(55-33(51)13-5-19(40)27(47)20(41)6-13)23(44)10-53-31(49)11-1-15(36)25(45)16(37)2-11/h1-9,23-24,29-30,36-48H,10H2/t23-,24+,29-,30-/m1/s1

InChIKey

InChIKey=WVQQJCYNJAWGKW-XSHKJCDBSA-N

SMILES

[C@H]([C@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O)([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)C=O)OC(=O)C4=CC(O)=C(O)C(O)=C4

Canonical SMILES

O=CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)COC(=O)C4=CC(O)=C(O)C(O)=C4

Other Names for this Substance

  • D-Glucose, 2,3,4,6-tetrakis(3,4,5-trihydroxybenzoate)
  • D-Glucose, 2,3,4,6-tetragallate
  • 2,3,4,6-Tetra-O-galloyl-D-glucose
  • 2,3,4,6-Tetra-O-galloylglucose
  • 2,3,4,6-Tetragalloylglucose

CAS INSIGHTSTM
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