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Substance Name: Cimicifugic acid D
RN: 219986-51-3
UNII: D2PCW55V6N
InChIKey: MTGTYFYLZVUKQG-ZUVWSUMTSA-N

Molecular Formula

  • C20-H18-O10

Molecular Weight

  • 418.3522
 
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Names and Synonyms

Results Name

  • Cimicifugic acid D

Name of Substance

  • Cimicifugic acid D

Synonyms

  • Cimicifugic acid D
  • UNII-D2PCW55V6N

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 219986-51-3

FDA UNII

  • D2PCW55V6N

System Generated Number

  • 0219986513

Structure Descriptors

InChI

InChI=1S/C20H18O10/c21-13-5-1-12(2-6-13)10-20(29,19(27)28)17(18(25)26)30-16(24)8-4-11-3-7-14(22)15(23)9-11/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/b8-4+/t17-,20-/m1/s1

InChIKey

MTGTYFYLZVUKQG-ZUVWSUMTSA-N

Smiles

OC(=O)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@](O)(Cc2ccc(O)cc2)C(=O)O