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

CAS Registry Number®

87687-52-3

CAS Name

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

Molecular Formula

C34H26O22

Molecular Mass

786.56

Cite this Page

α-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87687-52-3 (retrieved 2024-11-23) (CAS RN: 87687-52-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)55-29-27(47)34(56-31(49)9-3-14(37)22(42)15(38)4-9)53-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(33(51)54-28(18)29)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-47H,7H2

InChIKey

InChIKey=NLDMNSXOCDLTTB-UHFFFAOYSA-N

SMILES

OC1=C2C=3C(C(=O)OCC4C(OC(=O)C2=CC(O)=C1O)C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C(O)C(OC(=O)C6=CC(O)=C(O)C(O)=C6)O4)=CC(O)=C(O)C3O

Canonical SMILES

O=C(OC1OC2COC(=O)C=3C=C(O)C(O)=C(O)C3C4=C(O)C(O)=C(O)C=C4C(=O)OC2C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C1O)C6=CC(O)=C(O)C(O)=C6

Other Names for this Substance

  • α-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate)
  • α-D-Glucopyranose, cyclic 4,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1,3-bis(3,4,5-trihydroxybenzoate), (S)-
  • Dibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin, α-D-glucopyranose deriv.
  • Heterophylliin A

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