Corilagin

CAS Registry Number®

23094-69-1
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CAS Name

Corilagin

Molecular Formula

C27H22O18

Molecular Mass

634.45

Cite this Page

Corilagin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=23094-69-1 (retrieved 2024-04-20) (CAS RN: 23094-69-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    206-207 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2

InChIKey

InChIKey=TUSDEZXZIZRFGC-UHFFFAOYSA-N

SMILES

OC1=C2C=3C(=CC(O)=C(O)C3O)C(=O)OCC4C(O)C(OC(=O)C2=CC(O)=C1O)C(O)C(OC(=O)C5=CC(O)=C(O)C(O)=C5)O4

Canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4C=5C(O)=C(O)C(O)=CC15)C2O

Other Names for this Substance

  • β-D-Glucopyranose, cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-(3,4,5-trihydroxybenzoate)
  • Glucopyranose, cyclic 3,6-(4,4′,5,5′,6,6′-hexahydroxydiphenate) 1-gallate, β-D-
  • Corilagin
  • β-D-Glucopyranose, cyclic 3,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), (R)-
  • 8,12-Methano-10H-dibenzo[j,l][1,4,8]trioxacyclotetradecin, β-D-glucopyranose deriv.

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Deleted or Replaced CAS Registry Numbers

1646808-35-6

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