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Substance Name: Diarctigenin
RN: 160433-41-0
UNII: HC1O9LXQ32
InChIKey: XYMRYKOVQDOJFH-VZNYXHRGSA-N

Note

  • An NSAID isolated from Arctium lappa.

Molecular Weight

  • 742.8134
 
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Names and Synonyms

Name of Substance

  • Diarctigenin

Synonyms

  • (-)-Diarctigenin
  • 2(3H)-Furanone, 3,3'-((6,6'-dihydroxy-5,5'-dimethoxy(1,1'-biphenyl)-3,3'-diyl)bis(methylene))bis(dihydro-4-((3,4-dimethoxyphenyl)methyl)-, (3R-(3alpha(3'R*,4'R*),4beta))-
  • Diarctigenin, (-)-
  • UNII-HC1O9LXQ32

Registry Numbers

CAS Registry Number

  • 160433-41-0

FDA UNII

  • HC1O9LXQ32

System Generated Number

  • 0160433410

Structure Descriptors

InChI

1S/C42H46O12/c1-47-33-9-7-23(17-35(33)49-3)11-27-21-53-41(45)29(27)13-25-15-31(39(43)37(19-25)51-5)32-16-26(20-38(52-6)40(32)44)14-30-28(22-54-42(30)46)12-24-8-10-34(48-2)36(18-24)50-4/h7-10,15-20,27-30,43-44H,11-14,21-22H2,1-6H3/t27-,28-,29+,30+/m0/s1

InChIKey

XYMRYKOVQDOJFH-VZNYXHRGSA-N

Smiles

COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3cc(OC)c(O)c(c3)c4cc(C[C@@H]5[C@@H](Cc6ccc(OC)c(OC)c6)COC5=O)cc(OC)c4O)cc1OC