Granatin A (a form)

CAS Registry Number®

161205-11-4

CAS Name

Granatin A (a form)

Molecular Formula

C34H24O23

Molecular Mass

800.54

Cite this Page

Granatin A (a form).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=161205-11-4 (retrieved 2024-11-25) (CAS RN: 161205-11-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H24O23/c35-10-1-6-15(22(42)19(10)39)16-7(2-11(36)20(40)23(16)43)30(47)56-32-27-24(44)25(13(53-32)5-52-28(6)45)54-29(46)8-3-12(37)21(41)26-17(8)18-9(31(48)55-27)4-14(38)33(49,50)34(18,51)57-26/h1-4,13,18,24-25,27,32,35-37,39-44,49-51H,5H2

InChIKey

InChIKey=GSZXURISMHFXFN-UHFFFAOYSA-N

SMILES

OC12C3C=4C(O1)=C(O)C(O)=CC4C(=O)OC5C(O)C(OC(=O)C3=CC(=O)C2(O)O)C6OC5COC(=O)C=7C(C=8C(C(=O)O6)=CC(O)=C(O)C8O)=C(O)C(O)=C(O)C7

Canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3C=4C(O)=C(O)C(O)=CC14)C5OC(=O)C6=CC(=O)C(O)(O)C7(O)OC=8C(O)=C(O)C=C(C(=O)OC2C5O)C8C67

Other Names for this Substance

  • β-D-Glucopyranose, cyclic 1,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] cyclic 2→1:4→9-[(4aS,9bS)-3,4,4a,9b-tetrahydro-4,4,4a,6,7-pentahydroxy-3-oxo-1,9-dibenzofurandicarboxylate]
  • β-D-Glucopyranose, cyclic 1,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) cyclic 2→1:4→9-(3,4,4a,9b-tetrahydro-4,4,4a,6,7-pentahydroxy-3-oxo-1,9-dibenzofurandicarboxylate), stereoisomer
  • Granatin A
  • Granatin A (a form)

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