Punigluconin

CAS Registry Number®

103488-38-6
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CAS Name

Punigluconin

Molecular Formula

C34H26O23

Molecular Mass

802.56

Cite this Page

Punigluconin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=103488-38-6 (retrieved 2024-03-28) (CAS RN: 103488-38-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)41)31(50)55-18-7-54-33(52)10-5-16(39)23(43)25(45)19(10)20-11(6-17(40)24(44)26(20)46)34(53)56-28(18)27(47)29(30(48)49)57-32(51)9-3-14(37)22(42)15(38)4-9/h1-6,18,27-29,35-47H,7H2,(H,48,49)

InChIKey

InChIKey=LXDFURPXDYWVDX-UHFFFAOYSA-N

SMILES

OC1=C2C=3C(C(=O)OCC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(C(C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C(O)=O)O)OC(=O)C2=CC(O)=C1O)=CC(O)=C(O)C3O

Canonical SMILES

O=C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C=4C(O)=C(O)C(O)=CC4C(=O)OCC2OC(=O)C5=CC(O)=C(O)C(O)=C5

Other Names for this Substance

  • D-Gluconic acid, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 2,5-bis(3,4,5-trihydroxybenzoate)
  • D-Gluconic acid, cyclic 4,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 2,5-bis(3,4,5-trihydroxybenzoate), (S)-
  • 7H-Dibenzo[g,i][1,5]dioxacycloundecin, D-gluconic acid deriv.
  • Punigluconin

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