β-D-Glucopyranose, cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,4-tris(3,4,5-trihydroxybenzoate)

CAS Registry Number®

88847-11-4

CAS Name

β-D-Glucopyranose, cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,4-tris(3,4,5-trihydroxybenzoate)

Molecular Formula

C41H30O26

Molecular Mass

938.66

Cite this Page

β-D-Glucopyranose, cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,4-tris(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88847-11-4 (retrieved 2024-11-25) (CAS RN: 88847-11-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)64-33-23-9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(8-22(49)30(54)32(25)56)40(61)65-34(33)35(66-37(58)11-3-17(44)27(51)18(45)4-11)41(63-23)67-38(59)12-5-19(46)28(52)20(47)6-12/h1-8,23,33-35,41-56H,9H2

InChIKey

InChIKey=DPBVYZVSXAZMAY-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2C3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC2OC(=O)C5=CC(O)=C(O)C(O)=C5)COC(=O)C=6C(C=7C(C(=O)O3)=CC(O)=C(O)C7O)=C(O)C(O)=C(O)C6

Canonical SMILES

O=C(OC1OC2COC(=O)C=3C=C(O)C(O)=C(O)C3C4=C(O)C(O)=C(O)C=C4C(=O)OC(C1OC(=O)C5=CC(O)=C(O)C(O)=C5)C2OC(=O)C6=CC(O)=C(O)C(O)=C6)C7=CC(O)=C(O)C(O)=C7

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

CAS INSIGHTSTM
Hourglass and a clock