Casuarictin

CAS Registry Number®

79786-00-8
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CAS Name

Casuarictin

Molecular Formula

C41H28O26

Molecular Mass

936.65

Cite this Page

Casuarictin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=79786-00-8 (retrieved 2024-04-26) (CAS RN: 79786-00-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2

InChIKey

InChIKey=SWRFKGRMQVLMKA-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2C3C(C4C(O2)COC(=O)C=5C(C=6C(C(=O)O4)=CC(O)=C(O)C6O)=C(O)C(O)=C(O)C5)OC(=O)C=7C(C=8C(C(=O)O3)=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)=C3)C4OC(=O)C5=CC(O)=C(O)C(O)=C5C6=C(O)C(O)=C(O)C=C6C(=O)OC4C2OC(=O)C7=CC(O)=C(O)C(O)=C7C8=C(O)C(O)=C(O)C=C18

Other Names for this Substance

  • β-D-Glucopyranose, cyclic 2,3:4,6-bis[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-(3,4,5-trihydroxybenzoate)
  • β-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), [2(S),4(S)]-
  • Dibenzo[g,i]dibenzo[6′,7′:8′,9′][1,4]dioxecino[2′,3′:4,5]pyrano[3,2-b][1,5]dioxacycloundecin, β-D-glucopyranose deriv.
  • Casuarictin
  • 1(β)-O-Galloylpedunculagin

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Deleted or Replaced CAS Registry Numbers

133055-59-1

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