β-D-Glucopyranoside, methyl, 3,4,6-tris(3,4,5-trihydroxybenzoate)

CAS Registry Number®

89927-26-4
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CAS Name

β-D-Glucopyranoside, methyl, 3,4,6-tris(3,4,5-trihydroxybenzoate)

Molecular Formula

C28H26O18

Molecular Mass

650.50

Cite this Page

β-D-Glucopyranoside, methyl, 3,4,6-tris(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89927-26-4 (retrieved 2024-09-19) (CAS RN: 89927-26-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H26O18/c1-42-28-22(38)24(46-27(41)11-6-16(33)21(37)17(34)7-11)23(45-26(40)10-4-14(31)20(36)15(32)5-10)18(44-28)8-43-25(39)9-2-12(29)19(35)13(30)3-9/h2-7,18,22-24,28-38H,8H2,1H3/t18-,22-,23-,24-,28-/m1/s1

InChIKey

InChIKey=DXMITXYQZDSXOV-PZLTVSJUSA-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[C@@H]2COC(=O)C4=CC(O)=C(O)C(O)=C4

Canonical SMILES

O=C(OCC1OC(OC)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)C4=CC(O)=C(O)C(O)=C4

Other Names for this Substance

  • β-D-Glucopyranoside, methyl, 3,4,6-tris(3,4,5-trihydroxybenzoate)
  • Methyl β-D-glucopyranoside 3,4,6-tri-O-gallate