β-D-Glucopyranoside, 4-hydroxyphenyl, 2,3,6-tris(3,4,5-trihydroxybenzoate)

CAS Registry Number®

1060674-46-5

CAS Name

β-D-Glucopyranoside, 4-hydroxyphenyl, 2,3,6-tris(3,4,5-trihydroxybenzoate)

Molecular Formula

C33H28O19

Molecular Mass

728.56

Cite this Page

β-D-Glucopyranoside, 4-hydroxyphenyl, 2,3,6-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=1060674-46-5 (retrieved 2024-11-24) (CAS RN: 1060674-46-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H28O19/c34-15-1-3-16(4-2-15)49-33-29(52-32(47)14-9-21(39)26(43)22(40)10-14)28(51-31(46)13-7-19(37)25(42)20(38)8-13)27(44)23(50-33)11-48-30(45)12-5-17(35)24(41)18(36)6-12/h1-10,23,27-29,33-44H,11H2/t23-,27-,28+,29-,33-/m1/s1

InChIKey

InChIKey=DTLDDZWHEMEXCO-ILYYIXHASA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@H]2[C@H](OC3=CC=C(O)C=C3)O[C@H](COC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H](O)[C@@H]2OC(=O)C5=CC(O)=C(O)C(O)=C5

Canonical SMILES

O=C(OCC1OC(OC2=CC=C(O)C=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C1O)C5=CC(O)=C(O)C(O)=C5

Other Names for this Substance

  • β-D-Glucopyranoside, 4-hydroxyphenyl, 2,3,6-tris(3,4,5-trihydroxybenzoate)
  • Hyemaloside A
  • 2,3,6-Tri-O-galloylarbutin

CAS INSIGHTSTM
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