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Substance Name: Cimicifugic acid E
RN: 219986-67-1
UNII: R8K7J9Q7VA
InChIKey: CAIGUMKGQLGFBR-PZTMCFHLSA-N

Molecular Formula

  • C21-H20-O10

Molecular Weight

  • 432.379
 
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Names and Synonyms

Results Name

  • Cimicifugic acid E

Name of Substance

  • Cimicifugic acid E

Synonyms

  • 2-E-Feruloylpiscidic acid
  • Cimicifugic acid E
  • UNII-R8K7J9Q7VA

Systematic Name

  • Butanedioic acid, 2-hydroxy-3-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-2-((4-hydroxyphenyl)methyl)-, (2R,3S)-

Registry Numbers

CAS Registry Number

  • 219986-67-1

FDA UNII

  • R8K7J9Q7VA

System Generated Number

  • 0219986671

Structure Descriptors

InChI

1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1

InChIKey

CAIGUMKGQLGFBR-PZTMCFHLSA-N

Smiles

COc1cc(\C=C\C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O