Penta-O-galloyl-β-D-glucose

CAS Registry Number®

14937-32-7

CAS Name

Penta-O-galloyl-β-D-glucose

Molecular Formula

C41H32O26

Molecular Mass

940.68

Cite this Page

Penta-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=102694-50-8 (retrieved 2024-11-22) (CAS RN: 14937-32-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1

InChIKey

InChIKey=QJYNZEYHSMRWBK-NIKIMHBISA-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](OC(=O)C4=CC(O)=C(O)C(O)=C4)O[C@H](COC(=O)C5=CC(O)=C(O)C(O)=C5)[C@H]2OC(=O)C6=CC(O)=C(O)C(O)=C6

Canonical SMILES

O=C(OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C1OC(=O)C5=CC(O)=C(O)C(O)=C5)C6=CC(O)=C(O)C(O)=C6

Other Names for this Substance

  • β-D-Glucopyranose, 1,2,3,4,6-pentakis(3,4,5-trihydroxybenzoate)
  • Glucopyranose, pentagallate, β-D-
  • β-D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate)
  • Gallic acid, pentaester with β-D-glucopyranose
  • 1,2,3,4,6-Pentagalloyl-β-D-glucose

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Deleted or Replaced CAS Registry Numbers

94008-28-3, 98731-29-4, 99935-72-5, 102694-50-8, 131647-34-2, 1809258-59-0, 2392017-59-1

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