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

CAS Registry Number®

88847-08-9
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CAS Name

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

Molecular Formula

C21H22O14

Molecular Mass

498.39

Cite this Page

β-D-Glucopyranoside, methyl, 4,6-bis(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88847-08-9 (retrieved 2024-09-20) (CAS RN: 88847-08-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H22O14/c1-32-21-17(29)16(28)18(35-20(31)8-4-11(24)15(27)12(25)5-8)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3/t13-,16-,17-,18-,21-/m1/s1

InChIKey

InChIKey=BTSUIPCMGZHMNV-MVHGGMCBSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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