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

CAS Registry Number®

81956-07-2

CAS Name

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

Molecular Formula

C41H30O26

Molecular Mass

938.66

Cite this Page

α-D-Glucopyranose, cyclic 3,4-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,6-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=81956-07-2 (retrieved 2024-11-25) (CAS RN: 81956-07-2).  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)62-9-23-33-34(65-40(61)14-8-22(49)30(54)32(56)25(14)24-13(39(60)64-33)7-21(48)29(53)31(24)55)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=ZQYQKZCDCFVYLV-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2C3C(C(COC(=O)C4=CC(O)=C(O)C(O)=C4)OC2OC(=O)C5=CC(O)=C(O)C(O)=C5)OC(=O)C=6C(C=7C(C(=O)O3)=CC(O)=C(O)C7O)=C(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)C4OC(=O)C5=CC(O)=C(O)C(O)=C5C=6C(O)=C(O)C(O)=CC6C(=O)OC14)C7=CC(O)=C(O)C(O)=C7

Other Names for this Substance

  • α-D-Glucopyranose, cyclic 3,4-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,6-tris(3,4,5-trihydroxybenzoate)
  • α-D-Glucopyranose, cyclic 3,4-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1,2,6-tris(3,4,5-trihydroxybenzoate), (S)-
  • 1H-Dibenzo[f,h]pyrano[3,4-b][1,4]dioxecin, α-D-glucopyranose deriv.
  • Nupharin A

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