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Substance Name: Pedunculagin
RN: 7045-42-3
UNII: 1KN18B7Y0X
InChIKey: KHMBJGKOFANMAO-UHFFFAOYSA-N

Note

  • From the walnut (Juglans regia) pellicle.

Molecular Formula

  • C34-H24-O22

Molecular Weight

  • 784.542
 
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Names and Synonyms

Results Name

  • Pedunculagin

Name of Substance

  • Pedunculagin

Synonyms

  • Pedunculagin
  • UNII-1KN18B7Y0X

Systematic Name

  • alpha-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)

Registry Numbers

CAS Registry Number

  • 7045-42-3

FDA UNII

  • 1KN18B7Y0X

System Generated Number

  • 0007045423

Structure Descriptors

InChI

1S/C34H24O22/c35-5-16-30(56-34(52)10-4-14(39)24(44)28(48)20(10)18-8(32(50)54-16)2-12(37)22(42)26(18)46)29-15(40)6-53-31(49)7-1-11(36)21(41)25(45)17(7)19-9(33(51)55-29)3-13(38)23(43)27(19)47/h1-5,15-16,29-30,36-48H,6H2

InChIKey

KHMBJGKOFANMAO-UHFFFAOYSA-N

Smiles

c1(c(cc2c(c3c(cc(c(c3O)O)O)C(O[C@@H]([C@@H](COC2=O)O)[C@@H]2OC(=O)c3c(c(c(c(c3)O)O)O)c3c(cc(c(c3O)O)O)C(=O)O[C@@H]2C=O)=O)c1O)O)O