1,3,6-Tri-O-galloyl-β-D-glucose

CAS Registry Number®

18483-17-5
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CAS Name

1,3,6-Tri-O-galloyl-β-D-glucose

Molecular Formula

C27H24O18

Molecular Mass

636.47

Cite this Page

1,3,6-Tri-O-galloyl-β-D-glucose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18483-17-5 (retrieved 2024-07-08) (CAS RN: 18483-17-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    227 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=RNKMOGIPOMVCHO-SJMVAQJGSA-N

SMILES

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

Canonical SMILES

O=C(OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)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, 1,3,6-tris(3,4,5-trihydroxybenzoate)
  • Glucopyranose, 1,3,6-trigallate, β-D-
  • 1,3,6-Tri-O-galloyl-β-D-glucose
  • β-D-Glucopyranose 1,3,6-trigallate
  • 1,3,6-Tri-O-galloyl-β-D-glucopyranose

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