1,3,4-Tri-O-galloyl-β-D-glucopyranose

CAS Registry Number®

193484-86-5

CAS Name

1,3,4-Tri-O-galloyl-β-D-glucopyranose

Molecular Formula

C27H24O18

Molecular Mass

636.47

Cite this Page

1,3,4-Tri-O-galloyl-β-D-glucopyranose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=193484-86-5 (retrieved 2024-11-26) (CAS RN: 193484-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)21(38)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23-,27+/m1/s1

InChIKey

InChIKey=YYJNEVBVNQOVIM-BTPAJHBMSA-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](OC(=O)C4=CC(O)=C(O)C(O)=C4)O[C@@H]2CO

Canonical SMILES

O=C(OC1OC(CO)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C1O)C4=CC(O)=C(O)C(O)=C4

Other Names for this Substance

  • β-D-Glucopyranose, 1,3,4-tris(3,4,5-trihydroxybenzoate)
  • 1,3,4-Tri-O-galloyl-β-glucopyranose
  • 1,3,4-Tri-O-galloyl-β-D-glucopyranose

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